@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3751

@attribute molecule_id {CHEMBL135,CHEMBL1671971,CHEMBL197667,CHEMBL198089,CHEMBL198411,CHEMBL198679,CHEMBL229861,CHEMBL2326068,CHEMBL2326069,CHEMBL2326070,CHEMBL2326071,CHEMBL2326072,CHEMBL2326073,CHEMBL2326074,CHEMBL2326075,CHEMBL2326076,CHEMBL250097,CHEMBL250300,CHEMBL250301,CHEMBL250302,CHEMBL250505,CHEMBL250506,CHEMBL250507,CHEMBL372783,CHEMBL398814,CHEMBL398815,CHEMBL402491,CHEMBL402492,CHEMBL402493,CHEMBL437390,CHEMBL44,CHEMBL440757}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.011 numeric
@attribute C.013 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute C.019 numeric
@attribute C.021 numeric
@attribute C.022 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.083 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.053 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.50 numeric
@attribute Hypnotic.80 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.068 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaO numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArCN numeric
@attribute nArCO numeric
@attribute nArNR2 numeric
@attribute nArOH numeric
@attribute nArOR numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBR numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCL numeric
@attribute nCONN numeric
@attribute nCp numeric
@attribute nCq numeric
@attribute nCrq numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCRX3 numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nDB numeric
@attribute NdCH2 numeric
@attribute NdO numeric
@attribute NdsCH numeric
@attribute NdssC numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nIsoxazoles numeric
@attribute nN numeric
@attribute nN.CO.2 numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHs numeric
@attribute nPyridines numeric
@attribute nPyrroles numeric
@attribute nPyrrolidines numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR08 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nR.C. numeric
@attribute nR.CH.X numeric
@attribute nRCOOR numeric
@attribute nR.Cp numeric
@attribute nR.Cs numeric
@attribute nR.Ct numeric
@attribute nRNR2 numeric
@attribute nROCON numeric
@attribute nROH numeric
@attribute NRS numeric
@attribute nS numeric
@attribute NsBr numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute NsF numeric
@attribute nSK numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NssS numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute nTB numeric
@attribute NtCH numeric
@attribute NtN numeric
@attribute nTriazoles numeric
@attribute NtsC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.060 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psi_i_t numeric
@attribute Psychotic.80 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_e_4 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_e_6 numeric
@attribute P_VSA_i_1 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_6 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_LogP_8 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_m_5 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.107 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaO numeric
@attribute SaasC numeric
@attribute SaasN numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SdCH2 numeric
@attribute SdO numeric
@attribute SdsCH numeric
@attribute SdssC numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsBr numeric
@attribute SsCH3 numeric
@attribute SsCl numeric
@attribute SsF numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SssS numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC numeric
@attribute StCH numeric
@attribute StN numeric
@attribute StsC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 1.207,2 7.5,3 3.813,4 14.537,5 79.618,6 6.191,7 0.261,8 3.869,9 3.987,10 3.286,11 3.454,12 4.764,13 3.388,14 4.509,15 4.682,16 3.747,17 3.985,18 5.302,19 3.887,20 4.947,21 5.165,22 3.894,23 4.252,24 5.725,25 4.111,26 5.137,27 5.398,28 3.729,29 4.285,30 5.849,31 4.086,32 5.107,33 5.423,34 3.459,35 4.109,36 5.715,37 3.866,38 4.793,39 5.113,40 3.154,41 3.744,42 5.485,43 3.512,44 4.346,45 4.645,46 2.87,47 3.323,48 5.178,49 3.132,50 3.916,51 4.183,52 2.477,53 2.88,54 4.883,55 2.706,56 0.061,57 0.582,58 11.023,59 5.035,60 8.695,61 6.74,62 0.094,63 1.076,64 20.736,65 9.394,66 14.259,67 12.834,68 0.196,69 1.565,70 32.09,71 13.673,72 28.192,73 18.93,74 0.297,75 1.792,76 38.53,77 15.716,78 39.027,79 22.095,80 0.274,81 1.653,82 36.669,83 14.619,84 34.607,85 21.02,86 0.241,87 1.171,88 26.969,89 10.283,90 32.351,91 14.738,92 0.172,93 0.743,94 17.448,95 6.453,96 26.54,97 9.119,98 0.123,99 0.475,100 11.504,101 4.07,102 22.107,103 5.655,104 10,105 36,106 0.214,107 0.533,108 0.771,109 0.884,110 0.9,111 0.9,112 3.061,113 1.056,114 -4.86,115 -4.77,116 -4.48,118 40.9,119 1,120 6,121 3,122 1,125 1,135 3,136 2,137 1,146 17,150 4,151 26,155 6,156 29,161 4,162 22,166 4,167 14,171 4,172 8,176 4,177 4,181 4,187 2,189 368,190 13.411,191 13.411,192 13.411,193 13.411,194 13.411,195 12.659,196 11.234,197 7.397,198 13.481,199 11.293,200 11.293,201 11.293,202 11.293,203 11.293,204 10.143,205 7.184,206 3.44,207 11.435,208 4.252,209 2.451,210 1.107,211 0.472,212 0.381,213 0.381,214 3.756,216 1,217 1,218 1,219 336,220 2.55,221 27.095,222 86.643,224 44.303,225 95.835,226 1.3,227 17.031,228 1,229 1,230 1,231 0.83,232 1,233 1,234 1,235 1,236 1,237 0.98,238 42,239 150,240 4.644,241 3.684,242 7.865,243 4.629,244 3.634,245 3.972,247 14.565,248 3.613,249 4.342,250 3.299,251 6.739,252 4.089,253 3.093,254 3.607,256 10.945,257 3.082,258 3.696,259 2.656,260 6.007,261 3.474,262 2.491,263 2.938,265 8.283,266 2.448,267 3.294,268 2.293,269 5.319,270 3.045,271 2.072,272 2.414,274 6.229,275 2.011,276 3.026,277 2.095,278 4.889,279 2.854,280 1.863,281 2.133,283 5.24,284 1.84,285 2.694,286 1.854,287 4.757,288 2.626,289 1.654,290 1.702,292 4.504,293 1.604,294 2.527,295 1.457,296 4.401,297 2.361,298 1.378,299 1.529,301 3.889,302 1.349,303 2.179,304 1.067,305 3.761,306 2.041,307 1.046,308 1.156,309 2.635,310 1.04,311 1.719,312 0.711,313 3.439,314 1.634,315 0.639,316 0.682,317 1.523,318 0.635,319 1.148,320 0.272,321 3.023,322 0.963,327 0.839,328 -0.024,329 2.723,330 0.686,331 -0.293,332 -0.308,333 -0.752,334 -0.28,335 0.789,336 -0.208,337 2.491,338 0.626,339 -0.337,340 -0.382,341 -0.925,342 -0.327,343 0.5,344 -0.549,345 2.456,346 0.224,347 -0.757,348 -0.875,349 -2.097,350 -0.737,351 0.033,352 -0.948,353 2.362,354 -0.168,355 -1.136,356 -1.166,357 -3.125,358 -1.082,359 -0.126,360 -0.969,361 2.174,362 -0.207,363 -1.155,364 -1.21,365 -3.193,366 -1.09,367 9.667,368 0.483,369 0.665,370 0.033,371 18.5,372 0.925,373 6.5,374 0.325,375 12,376 0.6,377 23.615,378 1.181,379 22.733,380 0.517,381 9.111,382 0.456,383 2.468,384 0.123,385 7.126,386 0.356,387 0.121,388 0.052,389 0.362,391 0.947,392 1.032,393 0.994,394 1.03,395 0.972,396 1.019,397 0.605,398 1.099,399 0.946,400 1.096,401 0.56,402 1.061,403 0.79,404 1.165,405 1.065,406 1.165,407 0.754,408 1.145,409 0.901,410 1.136,411 1.147,412 1.146,413 0.889,414 1.168,415 0.624,416 0.929,417 0.887,418 0.935,419 0.629,420 0.937,421 0.894,422 0.834,423 0.852,424 0.834,425 0.915,426 0.838,427 1.224,428 0.871,429 0.907,430 0.862,431 1.257,432 0.854,433 1.678,434 1.133,435 1.15,436 1.116,437 1.735,438 1.084,439 5,441 4,442 2.167,443 1.653,444 0.663,445 0.483,446 0.231,447 0.137,448 0.06,449 3512,450 6787,451 2.151,452 54.5,453 16,454 4,457 2,459 2,461 1.622,462 1.983,463 2.88,464 0.213,466 1,468 1,469 53.117,470 1.207,471 3.009,472 4.352,473 4.988,474 5.079,475 5.079,476 2.522,477 3.722,478 4.295,479 2.958,480 561.997,481 7.356,482 5325.73,484 1,486 1,487 240.215,488 1.675,489 4.235,490 0.217,492 0.111,493 0.056,494 0.055,495 0.03,496 0.03,497 0.019,498 0.02,499 0.015,500 0.553,501 0.83,502 1,503 0.627,504 85.282,505 -0.087,506 0.165,507 0.039,508 0.157,509 -0.092,510 0.117,511 0.002,512 0.034,513 0.038,514 0.036,515 0.044,516 0.04,517 -0.027,518 -0.111,519 -0.089,520 -0.111,521 0.007,522 -0.107,523 -0.081,524 -0.148,525 -0.188,526 -0.156,527 -0.076,528 -0.179,529 0.023,530 -0.008,531 0.035,532 -0.004,533 -0.003,534 0.014,535 0.004,536 0.065,537 0.093,538 0.071,539 -0.026,540 0.088,541 -0.023,542 0.04,543 0.077,544 0.047,545 -0.044,546 0.069,547 -0.074,548 -0.211,549 -0.118,550 -0.204,551 -0.092,552 -0.17,553 1.422,554 4.372,555 0.85,556 11.78,557 0.983,558 1.123,559 3.635,560 13.211,561 0.637,562 3.178,563 3.611,564 3.989,565 4.304,566 4.585,567 4.754,568 4.956,569 5.124,570 5.231,571 5.176,572 4.343,573 0.585,574 272.42,575 3.178,576 4.779,577 5.694,578 6.632,579 7.564,580 8.506,581 9.444,582 10.388,583 11.328,584 12.273,593 3,596 3,598 6,602 1,605 44,606 6,607 1,608 23,610 47,611 18,612 6,613 3,614 3,616 4,617 10,620 1,621 1,622 1,623 7,624 3,626 7,628 6,629 12,630 3,637 1,639 24,640 2,641 2,642 2,647 0.25,648 2,649 1,653 1,654 3,656 1,657 2,666 1,667 1,670 1,673 20,674 2,675 6,679 4,681 1,688 4.5,689 1,690 1,693 10.083,694 7.733,695 4.153,696 3.013,697 1.222,698 1.164,699 0.906,700 2.774,701 8.653,702 3.296,703 3.861,704 4.373,705 4.843,706 5.304,707 5.494,708 5.764,709 6.062,710 6.354,711 6.443,712 1,713 39,714 7.517,715 3.443,716 7.529,717 15.226,718 14.504,719 2.029,720 40.583,721 0.003,723 258.964,724 58.832,727 85.367,730 58.832,731 344.331,733 8.825,734 15.207,735 71.112,736 42.683,737 6.371,739 258.964,741 258.964,742 58.832,743 85.367,746 235.422,747 66.226,748 42.683,749 24.032,750 34.8,753 258.964,754 85.367,755 58.832,756 258.964,757 21.578,758 37.254,760 85.367,761 258.964,762 85.367,763 58.832,764 0.613,765 0.381,766 0.203,767 0.11,768 22,769 9,772 3,773 1.353,774 3.12,775 171.51,776 0.353,777 17,778 84.439,780 12.851,781 4.317,782 1.745,784 85.367,785 5.955,788 3.232,790 85.367,791 403.163,792 26,797 43.258,798 49.401,799 0.221,800 0.551,801 0.797,802 0.914,803 0.93,804 0.93,805 4.64,806 1.046,807 5.759,808 3.889,809 4.29,810 4.543,812 6.73,813 4.268,814 5.85,815 0.639,816 7.431,817 2.635,818 4.205,819 4.494,821 8.16,822 4.168,823 7.201,825 9.22,826 1.523,827 6.089,828 6.618,830 11.297,831 6.057,832 8.584,833 -0.293,834 11.081,836 6.825,837 7.329,839 13.558,840 6.785,841 10.004,842 -0.337,843 12.992,844 -0.752,845 8.267,846 9.018,848 16.33,849 8.229,850 11.447,851 -0.757,852 14.937,853 -0.925,854 9.336,855 10.05,857 18.865,858 9.291,859 12.908,860 -1.136,861 16.908,862 -2.097,863 10.647,864 11.573,866 21.554,867 10.6,868 3.634,869 -1.155,870 18.897,871 -3.125,872 11.842,873 12.755,875 24.178,876 11.789,877 3.093,878 14.565,879 20.901,880 -3.193,881 13.118,882 14.204,884 26.851,885 13.062,886 2.491,887 10.945,888 22.917,889 3.972,890 14.362,891 15.464,893 29.507,894 14.299,895 2.072,896 8.283,897 24.941,898 3.607,899 15.633,900 16.875,902 32.178,903 15.566,904 1.863,905 6.229,906 26.972,907 2.938,908 16.897,909 18.178,911 34.846,912 16.824,913 1.654,914 5.24,915 29.008,916 2.414,917 18.171,918 19.569,920 37.52,921 18.092,922 1.378,923 4.504,924 31.049,925 2.133,926 19.445,927 20.898,929 40.193,930 19.36,931 3345,932 4675,933 15.315,934 28.046,935 35.93,936 36.099,937 38.005,938 35.82,939 35.74,940 40.268,942 115.628,943 35.245,944 5.644,945 5.684,946 7.151,947 5.629,948 5.634,949 6.972,951 22.923,952 5.613,953 9.128,954 1.562,955 1.57,956 1.652,957 1.557,958 1.554,959 1.751,961 5.027,962 1.532,963 4.104,964 4.136,965 4.023,966 4.039,967 6.471,968 4.031,969 3.874,970 3.904,971 3.795,972 3.798,973 6.448,974 3.793,975 3.495,976 3.542,977 3.368,978 3.37,979 4.631,980 3.361,981 3.391,982 3.466,983 3.203,984 3.259,985 4.296,986 3.235,987 3.152,988 3.241,989 2.942,990 3,991 3.903,992 2.975,993 2.99,994 3.063,995 2.82,996 2.81,997 3.779,998 2.793,999 2.889,1000 2.939,1001 2.705,1002 2.693,1003 3.687,1004 2.691,1005 2.752,1006 2.819,1007 2.557,1008 2.536,1009 3.482,1010 2.522,1011 0.202,1012 0.16,1013 0.342,1014 0.201,1015 0.158,1016 4.644,1017 0.173,1018 3.684,1020 7.865,1021 0.633,1022 4.629,1023 0.157,1024 3.634,1025 3.972,1027 14.565,1028 3.613,1029 2.05,1030 2.023,1031 2.183,1032 2.133,1033 1.618,1034 2.152,1035 1.786,1036 1.755,1037 1.942,1038 1.899,1039 1.257,1040 1.914,1041 1.604,1042 1.551,1043 1.842,1044 1.775,1045 1.178,1046 1.799,1047 1.4,1048 1.338,1049 1.67,1050 1.58,1051 0.949,1052 1.614,1053 1.294,1054 1.228,1055 1.597,1056 1.487,1057 0.839,1058 1.528,1059 0.997,1060 0.924,1061 1.336,1062 1.238,1063 0.614,1064 1.273,1065 0.883,1066 0.799,1067 1.24,1068 1.14,1069 0.431,1070 1.175,1071 0.715,1072 0.658,1073 1.044,1074 1.011,1075 0.232,1076 1.005,1077 3.85,1078 5.252,1079 2.398,1080 6.872,1081 4.844,1082 8.592,1083 7.034,1084 10.365,1086 2.317,1089 20.05,1090 6.869,1094 1.999,1096 0.162,1100 25.751,1101 53.117,1102 132.385,1103 191.486,1104 219.46,1105 223.46,1106 223.46,1107 33.724,1108 7.431,1109 40.46,1110 40.46,1111 23,1112 12.766,1113 2.807,1114 2,1115 26.079,1116 54,1117 54,1118 0.261,1119 153.069,1120 269.28,1121 365.249,1122 15139,1124 13.905,1125 0.695,1126 0.609,1127 13.905,1128 12.179,1129 9.593,1130 0.417,1131 0.352,1132 8.06,1133 9.457,1134 7.846,1135 6.401,1136 9.593,1137 8.093,1138 9.377,1139 0.26,1140 0.207,1141 9.377,1142 7.436,1143 8.691,1144 0.164,1145 0.126,1146 8.691,1147 6.66,1148 7.351,1149 0.101,1150 0.076,1151 7.351,1152 5.541,1153 6.134,1154 0.063,1155 0.045,1156 6.134,1157 4.325,1158 0.385,1159 58.714,1160 0.256,1161 19.112,1162 0.794,1163 118,1164 218.299,1165 122.207,1166 215.789,1167 300.25,1168 202,1169 148,1170 223.303,1171 151.987,1172 229.413,1173 342.01,1174 218,1175 8.337}
{0 CHEMBL1671971,1 1.984,2 11.552,3 4.307,4 18.553,5 100.636,6 10.51,7 0.387,8 3.839,9 3.897,10 3.702,11 3.431,12 5.229,13 3.457,14 4.34,15 4.421,16 4.186,17 3.77,18 6.171,19 3.805,20 4.463,21 4.547,22 4.122,23 3.827,24 5.961,25 3.863,26 4.549,27 4.669,28 4.119,29 3.788,30 6.206,31 3.828,32 4.524,33 4.657,34 4.083,35 3.811,36 6.053,37 3.838,38 4.546,39 4.681,40 4.092,41 3.768,42 6.266,43 3.802,44 4.535,45 4.693,46 4.008,47 3.646,48 6.127,49 3.676,50 4.359,51 4.525,52 3.732,53 3.491,54 5.911,55 3.488,56 0.336,57 0.751,58 2.649,59 3.681,60 49.548,61 2.815,62 1.064,63 1.537,64 9.213,65 6.305,66 161.549,67 4.784,68 0.861,69 1.248,70 11.135,71 7.452,72 110.807,73 5.81,74 1.349,75 1.408,76 12.447,77 7.61,78 168.792,79 5.955,80 1.041,81 1.485,82 15.53,83 8.209,84 141.21,85 6.723,86 1.075,87 1.501,88 13.566,89 7.816,90 189.547,91 6.512,92 1.394,93 1.317,94 17.329,95 8.024,96 166.501,97 7.475,98 1.066,99 1.201,100 17.43,101 7.397,102 154.911,103 6.636,104 59,105 45,106 0.346,107 0.705,108 0.811,109 0.879,110 0.888,111 0.888,112 3.408,113 0.847,114 -3.28,115 -3.27,116 -3.14,118 47.5,123 1,127 1,129 1,132 1,135 6,136 3,137 3,143 2,144 1,146 8,148 6,149 2,150 1,151 9,152 1,153 10,155 1,156 5,157 1,158 8,161 1,162 4,164 6,166 2,167 7,168 1,169 6,171 1,172 7,173 1,174 3,175 1,177 6,178 2,179 1,180 1,182 3,183 2,184 2,188 3,189 1356,190 18.9,191 18.9,192 18.9,193 18.9,194 18.9,195 16.945,196 20.824,197 10.785,198 19.649,199 15.176,200 15.176,201 15.176,202 15.176,203 15.176,204 11.868,205 21.584,206 4.981,207 16.376,208 3.338,209 1.286,210 0.675,211 0.288,212 0.238,213 0.238,214 4.082,217 1,218 1,219 700,220 3.808,221 92.421,222 205.313,226 1.874,227 62.441,230 1,231 1,232 1,233 0.4,235 1,236 1,237 0.77,238 67.5,239 335,240 4.57,241 4.802,242 7.255,243 4.268,244 3.389,245 4.101,246 4.337,247 12.282,248 3.023,249 4.329,250 4.474,251 6.215,252 3.925,253 2.977,254 3.932,255 3.825,256 9.338,257 2.822,258 4.179,259 4.056,260 6.129,261 3.793,262 2.861,263 3.568,264 2.035,265 9.008,266 2.66,267 3.93,268 3.599,269 5.629,270 3.46,271 2.526,272 3.188,273 1.058,274 7.558,275 2.335,276 3.635,277 3.266,278 5.266,279 3.238,280 2.273,281 2.903,282 0.86,283 6.715,284 2.171,285 3.485,286 3.113,287 5.181,288 3.02,289 2.081,290 2.662,291 0.86,292 6.304,293 1.905,294 3.284,295 2.817,296 4.751,297 2.815,298 1.827,299 2.427,300 0.508,301 5.073,302 1.754,303 2.98,304 2.366,305 4.395,306 2.468,307 1.537,308 2.028,309 4.131,310 1.422,311 2.862,312 2.24,313 4.125,314 2.194,315 1.267,316 1.681,317 3.511,318 1.14,319 2.753,320 1.935,321 4.076,322 2.116,323 1.154,324 1.615,325 3.183,326 1.092,327 2.583,328 1.526,329 3.206,330 1.601,331 0.674,332 1.106,333 1.425,334 0.619,335 1.819,336 1.367,337 2.967,338 1.412,339 0.507,340 0.662,341 0.817,342 0.454,343 1.453,344 0.943,345 2.86,346 1.102,347 0.207,348 0.252,349 0.377,350 0.183,351 1.261,352 0.819,353 2.791,354 0.814,355 -0.105,356 -0.139,357 -0.254,358 -0.095,359 1,360 0.769,361 2.575,362 0.522,363 -0.46,364 -0.611,365 -1.053,366 -0.422,367 13.324,368 0.459,369 0.966,370 0.033,371 39,372 1.345,373 20.5,374 0.707,375 18.5,376 0.638,377 21.938,378 0.756,379 31.076,380 0.777,381 34.043,382 1.174,383 8.005,384 0.276,385 5.701,386 0.197,387 0.182,388 0.038,389 0.338,390 3,391 0.668,392 0.841,393 0.608,394 0.879,395 0.602,396 0.785,397 0.602,398 0.653,399 0.668,400 0.878,401 0.457,402 0.786,403 0.86,404 0.927,405 0.953,406 1.18,407 0.735,408 1.111,409 0.977,410 0.948,411 0.883,412 0.85,413 0.89,414 1,415 1.102,416 1.099,417 1.053,418 1.032,419 0.919,420 1.001,421 0.981,422 0.979,423 0.981,424 1.096,425 0.813,426 1.171,427 0.884,428 0.944,429 0.82,430 0.9,431 0.904,432 1.021,433 1.06,434 1.127,435 1.323,436 1.172,437 1.085,438 1.223,439 8.5,440 0.177,441 3.556,442 2.667,443 1.964,444 1.382,445 0.847,446 0.648,447 0.337,448 0.191,449 10094,450 47145,451 1.965,452 27.5,454 10,457 1,461 1.72,462 1.785,463 3.441,464 -0.234,466 1,469 79.358,470 1.984,471 4.036,472 4.646,473 5.034,474 5.084,475 5.084,476 2.935,477 4.444,478 4.829,479 3.647,480 1480.73,481 8.416,482 20105.5,484 1,486 1,487 212.877,488 1.713,489 4.748,490 0.274,491 0.009,492 0.079,493 0.059,494 0.046,495 0.032,496 0.021,497 0.018,498 0.012,499 0.009,500 0.559,501 0.33,502 1,503 1.001,504 147.447,505 -0.063,506 -0.024,507 0.016,508 0.012,509 -0.074,510 0.021,511 0.286,512 0.325,513 0.18,514 0.105,515 0.317,516 0.082,517 -0.075,518 -0.167,519 -0.115,520 -0.234,521 -0.061,522 -0.186,523 0.015,524 -0.009,525 -0.051,526 0.039,527 -0.018,528 -0.057,529 -0.19,530 -0.147,531 -0.092,532 -0.051,533 -0.085,534 0.011,535 -0.055,536 -0.032,537 -0.08,538 -0.174,539 0.078,540 -0.192,541 0.128,542 -0.046,543 0.178,544 0.027,545 0.006,546 0.071,547 -0.051,548 -0.122,549 -0.168,550 -0.126,551 -0.099,552 -0.102,553 5.973,554 5.314,555 0.586,556 28.492,557 1.061,558 1.132,559 2.054,560 4.217,561 0.721,562 3.466,563 3.829,564 4.043,565 4.29,566 4.477,567 4.5,568 4.615,569 4.682,570 4.754,571 4.812,572 6.8,573 0.735,574 420.39,575 3.466,576 5.03,577 5.872,578 6.767,579 7.63,580 8.524,581 9.395,582 10.287,583 11.161,584 12.052,585 5,588 1,590 1,593 6,596 6,598 12,599 1,603 2,605 40,606 16,607 2,608 31,610 42,611 19,612 12,613 6,614 6,615 3,616 3,617 3,620 1,625 1,627 1,628 16,629 2,631 3,633 2,634 1,635 3,637 1,638 3,639 11,640 9,641 1,642 10,643 1,645 2,646 1,647 1,648 4,653 1,654 2,662 2,665 1,667 3,668 1,670 1,672 3,673 29,676 1,677 2,678 1,681 1,682 1,684 1,686 1,687 3,688 10,691 2,692 2,693 16.25,694 7.795,695 6.333,696 2.109,697 3.104,698 1.424,699 0.969,700 5.881,701 10.431,702 3.761,703 4.331,704 4.864,705 5.39,706 5.921,707 6.191,708 6.541,709 6.878,710 7.209,711 7.524,712 0.875,713 45,714 11.329,715 5.514,716 8.606,717 18.82,718 14.996,719 3.106,720 90.083,722 1,723 117.711,724 168.41,725 49.07,727 72.29,728 44.88,729 32.22,730 136.19,731 190.001,732 93.95,733 10.883,734 18.011,735 66.334,736 73.147,737 123.226,738 3.07,739 149.931,740 7.76,741 117.711,742 185.26,743 117.17,744 32.22,746 117.711,747 117.17,749 56.83,750 117.404,751 11.027,752 32.22,753 162.591,754 121.36,755 168.41,756 125.471,757 66.832,758 77.217,759 34.612,760 148.229,761 117.711,762 166.24,763 168.41,764 0.592,765 0.339,766 0.178,767 0.099,768 21,769 11,770 0.095,771 4,773 1,774 3.887,775 250.861,777 17,778 136.127,779 1,780 20.79,781 8.203,782 4.735,784 166.24,785 7.301,788 -1.131,790 18.011,791 452.361,792 42,794 22.856,795 1.444,796 -0.85,797 42.429,798 45.265,799 0.373,800 0.758,801 0.873,802 0.946,803 0.955,804 0.955,805 5.037,806 1.537,807 5.916,808 5.073,809 4.511,810 5.017,811 4.251,812 6.772,813 4.369,814 6.285,815 1.267,816 7.516,817 4.131,818 4.369,819 4.956,820 4.198,821 7.928,822 4.086,823 7.621,824 1.154,825 9.221,826 3.511,827 6.205,828 7.194,829 6.775,830 10.937,831 5.91,832 8.986,833 0.674,834 10.988,835 3.183,836 6.815,837 7.855,838 7.182,839 12.885,840 6.356,841 10.376,842 0.507,843 12.796,844 1.425,845 8.207,846 9.635,847 9.55,848 15.509,849 7.726,850 11.786,851 0.207,852 14.634,853 0.817,854 9.139,855 10.633,856 10.106,857 17.782,858 8.499,859 13.21,860 -0.105,861 16.496,862 0.377,863 10.382,864 12.216,865 12.376,866 20.302,867 9.69,868 3.389,869 -0.46,870 18.377,871 -0.254,872 11.456,873 13.39,874 13.033,875 22.709,876 10.618,877 2.977,878 12.282,879 20.274,880 -1.053,881 12.652,882 14.878,883 15.22,884 25.206,885 11.737,886 2.861,887 9.338,888 22.184,889 4.101,890 13.79,891 16.147,892 15.968,893 27.669,894 12.741,895 2.526,896 9.008,897 24.106,898 3.932,899 14.976,900 17.588,901 18.076,902 30.165,903 13.832,904 2.273,905 7.558,906 26.037,907 3.568,908 16.145,909 18.91,910 18.909,911 32.651,912 14.873,913 2.081,914 6.715,915 27.976,916 3.188,917 17.334,918 20.327,919 20.942,920 35.151,921 15.955,922 1.827,923 6.304,924 29.921,925 2.903,926 18.519,927 21.68,928 21.854,929 37.648,930 17.016,931 10015,932 21807,933 19.592,934 28.858,935 48.497,936 52.154,937 48.71,938 46.67,939 46.561,940 60.252,941 26.967,942 139.445,943 43.162,944 5.375,945 6.802,946 6.802,947 5.365,948 5.389,949 7.101,950 8.335,951 19.817,952 5.023,953 18.753,954 1.564,955 1.682,956 1.571,957 1.505,958 1.502,959 1.944,960 0.87,961 4.498,962 1.392,963 4.006,964 4.017,965 4.08,966 3.927,967 8.513,968 3.931,969 3.896,970 3.913,971 3.944,972 3.838,973 7.999,974 3.834,975 3.708,976 3.713,977 3.797,978 3.605,979 7.999,980 3.58,981 3.374,982 3.414,983 3.398,984 3.127,985 7.449,986 3.175,987 3.264,988 3.322,989 3.173,990 3.002,991 7.409,992 3.026,993 3.165,994 3.198,995 3.092,996 2.929,997 6.82,998 2.955,999 3.041,1000 3.082,1001 3.007,1002 2.863,1003 4.954,1004 2.874,1005 2.829,1006 2.842,1007 2.914,1008 2.629,1009 4.672,1010 2.622,1011 0.147,1012 0.155,1013 0.234,1014 0.138,1015 0.109,1016 4.57,1017 0.132,1018 4.802,1019 0.14,1020 7.255,1021 0.396,1022 4.268,1023 0.098,1024 3.389,1025 4.101,1026 4.337,1027 12.282,1028 3.023,1029 1.937,1030 1.926,1031 2.009,1032 2.037,1033 1.124,1034 2.026,1035 1.869,1036 1.852,1037 1.949,1038 1.948,1039 1.071,1040 1.948,1041 1.445,1042 1.441,1043 1.585,1044 1.66,1045 0.634,1046 1.612,1047 1.224,1048 1.213,1049 1.484,1050 1.522,1051 0.557,1052 1.524,1053 1.187,1054 1.155,1055 1.242,1056 1.474,1057 0.267,1058 1.41,1059 1.171,1060 1.111,1061 1.209,1062 1.4,1063 0.174,1064 1.372,1065 1.014,1066 0.975,1067 1.162,1068 1.239,1069 0.154,1070 1.209,1071 0.82,1072 0.779,1073 1.081,1074 1.007,1075 0.118,1076 1.033,1077 4.143,1078 5.493,1079 2.398,1080 7.02,1081 4.727,1082 8.628,1083 6.763,1084 10.281,1086 1.309,1088 39.941,1091 2.121,1092 10.586,1093 0.735,1096 -4.723,1098 8.838,1099 1.656,1100 29.4,1101 79.358,1102 161.451,1103 185.858,1104 201.367,1105 203.367,1106 203.367,1107 88.904,1108 7.326,1109 92.18,1110 120.42,1111 17,1112 12.584,1113 4.087,1114 3.585,1115 52.464,1116 118,1117 115,1118 0.218,1119 182.942,1120 343.22,1121 438.14,1122 14349,1123 7.5,1124 21.181,1125 0.73,1126 0.534,1127 19.035,1128 15.48,1129 13.706,1130 0.442,1131 0.282,1132 7.805,1133 12.443,1134 7.613,1135 6.265,1136 12.903,1137 8.748,1138 13.213,1139 0.294,1140 0.149,1141 11.946,1142 6.7,1143 10.09,1144 0.18,1145 0.082,1146 10.052,1147 4.572,1148 8.3,1149 0.115,1150 0.044,1151 8.326,1152 3.141,1153 6.566,1154 0.075,1155 0.022,1156 6.444,1157 1.936,1158 0.342,1159 92.417,1160 0.226,1161 27.485,1162 0.598,1163 152,1164 758.114,1165 210.568,1166 660.416,1167 847.93,1168 608,1169 177,1170 565.496,1171 222.256,1172 566.785,1173 845.53,1174 528,1175 5.796}
{0 CHEMBL197667,1 1.533,2 8.3,3 3.307,4 10.938,5 73.869,6 8.743,7 0.773,8 3.531,9 3.607,10 3.221,11 3.185,12 4.882,13 3.186,14 3.933,15 4.026,16 3.574,17 3.549,18 5.24,19 3.538,20 4.218,21 4.359,22 3.642,23 3.662,24 5.518,25 3.634,26 4.207,27 4.392,28 3.496,29 3.562,30 5.462,31 3.513,32 4.055,33 4.245,34 3.419,35 3.427,36 5.422,37 3.385,38 3.894,39 4.056,40 3.233,41 3.275,42 5.397,43 3.223,44 3.773,45 3.971,46 2.916,47 3.064,48 5.081,49 2.989,50 3.537,51 3.751,52 2.657,53 2.689,54 4.87,55 2.632,56 0.069,57 0.367,58 4.124,59 2.402,60 14.781,61 2.402,62 0.047,63 0.566,64 6.035,65 3.713,66 8.7,67 4.096,68 0.182,69 0.776,70 10.615,71 5.1,72 32.966,73 5.474,74 0.205,75 0.804,76 12.096,77 5.154,78 40.976,79 5.912,80 0.185,81 0.697,82 10.518,83 4.54,84 36.044,85 5.664,86 0.187,87 0.567,88 8.055,89 3.747,90 40.61,91 4.408,92 0.13,93 0.514,94 8.01,95 3.401,96 33.626,97 3.96,98 0.093,99 0.384,100 7.156,101 2.945,102 23.724,103 3.614,104 11,105 31,106 0.283,107 0.574,108 0.681,109 0.816,110 0.845,111 0.858,112 3.059,113 0.819,114 -3.44,115 -3.42,116 -3.27,118 53.3,135 8,136 3,137 2,139 2,143 1,146 8,148 5,150 4,151 9,153 7,155 4,156 9,158 3,161 2,162 8,163 1,164 2,165 1,166 1,167 9,169 3,170 2,171 1,172 8,174 2,176 2,177 4,181 4,185 1,187 4,189 432,190 13.541,191 13.541,192 13.541,193 13.541,194 13.541,195 11.452,196 7.638,197 7.869,198 13.684,199 10.797,200 10.797,201 10.797,202 10.797,203 10.797,204 7.582,205 4.67,206 3.679,207 11.073,208 3.374,209 1.8,210 1.225,211 0.492,212 0.333,213 0.267,214 3.738,216 1,217 1,218 1,219 356,220 2.121,222 147.985,225 78.937,226 1.23,227 23.064,230 1,231 1,232 1,233 0.4,235 1,236 1,237 0.77,238 43,239 166,240 4.593,241 4.072,242 6.577,243 4.116,244 3.132,245 4.533,246 2.035,247 10.5,248 3.081,249 4.14,250 3.104,251 6.084,252 3.733,253 2.745,254 3.768,256 8.841,257 2.712,258 3.768,259 2.801,260 5.228,261 3.28,262 2.319,263 3.203,265 6.336,266 2.225,267 3.663,268 2.536,269 5.054,270 3.16,271 2.194,272 3.011,274 6.111,275 2.11,276 3.449,277 2.367,278 4.949,279 2.949,280 1.99,281 2.794,283 5.756,284 1.899,285 3.068,286 2.047,287 4.391,288 2.39,289 1.416,290 2.066,292 4.111,293 1.375,294 2.878,295 1.474,296 3.812,297 2.06,298 1.076,299 1.666,301 2.686,302 1.057,303 2.5,304 1.064,305 3.414,306 2,307 1,308 1.5,309 2.275,310 1,311 2.342,312 1,313 2.951,314 1.377,315 0.437,316 0.795,317 0.768,318 0.409,319 1.432,320 0.371,321 2.689,322 0.942,327 1.077,328 0.105,329 2.49,330 0.635,331 -0.296,332 -0.389,333 -0.636,334 -0.271,335 0.937,336 -0.202,337 2.329,338 0.402,339 -0.57,340 -0.881,341 -1.562,342 -0.552,343 0.598,344 -0.642,345 2,346 0.118,347 -0.83,348 -1.096,349 -2.298,350 -0.776,351 0.5,352 -0.769,353 2,355 -1,356 -1.5,357 -2.92,358 -1,359 0.257,360 -1,361 1.681,362 -0.15,363 -1.1,364 -1.548,365 -3,366 -1.051,367 9.467,368 0.473,369 0.503,370 0.025,371 32.25,372 1.613,373 20,374 1,375 12.25,376 0.613,377 10.32,378 0.516,379 19.333,380 0.644,381 21.447,382 1.072,383 6.373,384 0.319,385 3.296,386 0.165,387 0.113,389 0.37,391 0.948,392 0.835,393 0.712,394 0.725,395 0.855,396 0.69,397 0.621,398 1.092,399 0.72,400 1.017,401 0.503,402 0.919,403 1.045,404 1.088,405 1.016,406 1.004,407 0.876,408 1.005,409 0.957,410 1.048,411 1.051,412 0.96,413 0.941,414 0.999,415 0.58,416 0.915,417 0.8,418 0.905,419 0.728,420 0.893,421 0.694,422 1.055,423 1.047,424 1.115,425 0.859,426 1.147,427 0.963,428 1.03,429 1.227,430 1.13,431 1.365,432 1.194,433 1.051,434 1.087,435 1,436 1.222,437 1.164,438 1.124,439 4.5,440 0.041,441 2.444,442 1.063,443 1.48,444 0.792,445 0.321,446 0.236,447 0.197,448 0.04,449 3538,450 11764,451 2.077,452 33.3,454 8,457 2,461 1.621,462 1.935,463 3.026,464 0.311,466 1,468 1,469 45.987,470 1.533,471 3.107,472 3.682,473 4.415,474 4.574,475 4.64,476 2.485,477 3.622,478 4.292,479 3.114,480 591.636,481 7.348,482 5849.37,483 1,484 1,485 1,486 1,487 147.207,488 1.441,489 4.248,490 0.205,491 0.021,492 0.079,493 0.033,494 0.055,495 0.032,496 0.016,497 0.017,498 0.02,499 0.007,500 0.483,501 0.67,502 1,503 0.843,504 87.128,505 -0.154,506 0.089,507 -0.034,508 0.156,509 -0.146,510 0.098,511 -0.011,512 -0.169,513 -0.026,514 -0.133,515 0.026,516 -0.095,517 -0.156,518 -0.123,519 -0.146,520 -0.075,521 -0.106,522 -0.103,523 -0.134,524 -0.034,525 -0.08,526 -0.004,527 -0.135,528 -0.022,529 0.15,530 0.097,531 0.18,532 0.06,533 0.112,534 0.11,535 0.156,536 -0.078,537 -0.12,538 -0.169,539 0.15,540 -0.199,541 -0.127,542 -0.032,543 -0.21,544 -0.153,545 -0.253,546 -0.178,547 0.018,548 -0.161,549 0.158,550 -0.174,551 0.007,552 -0.014,553 1.562,554 3.502,555 0.8,556 13.72,557 1.013,558 1.103,559 2.215,560 4.904,561 0.732,562 3.135,563 3.466,564 3.738,565 4.007,566 4.317,567 4.357,568 4.443,569 4.533,570 4.585,571 4.454,572 4.782,573 0.719,574 262.28,575 3.135,576 4.673,577 5.525,578 6.409,579 7.284,580 8.172,581 9.056,582 9.946,583 10.834,584 11.725,585 6.7,590 1,591 1,592 2,593 8,594 1,596 5,598 17,599 1,602 2,605 30,606 18,607 2,608 22,610 32,611 16,612 15,613 5,614 7,616 3,617 4,627 1,628 15,636 1,637 1,639 10,640 4,641 2,642 4,645 2,647 0.667,648 2,650 1,654 3,657 1,667 2,673 20,674 2,682 1,684 1,686 1,688 6.7,690 2,693 10.333,694 5.467,695 4.417,696 1.667,697 3.511,698 1.519,699 0.958,700 2.924,701 10.273,702 3.512,703 4.159,704 4.826,705 5.479,706 6.153,707 6.514,708 6.977,709 7.426,710 7.844,711 8.047,712 0.833,713 32,714 7.314,715 3.162,716 8.058,717 13.514,718 11.052,719 2.558,720 51.167,723 94.169,724 106.257,725 47.845,727 85.367,730 106.257,731 179.536,732 47.845,735 75.81,736 118.754,737 44.904,739 94.169,741 94.169,742 154.102,743 85.367,746 94.169,747 85.367,749 35.96,750 101.356,751 16.786,753 94.169,754 133.212,755 106.257,756 94.169,757 13.845,758 75.81,759 16.602,760 133.212,761 94.169,762 133.212,763 106.257,764 0.582,765 0.342,766 0.185,767 0.115,768 16,769 7,770 0.031,771 1,772 1,773 1.125,774 3.188,775 153.992,776 0.125,777 16,778 82.439,780 12.314,781 4.749,782 2.273,783 1.264,784 133.212,785 13.048,786 4.481,788 2.205,790 85.367,791 333.637,792 32.5,797 30.393,798 33.076,799 0.312,800 0.633,801 0.75,802 0.9,803 0.932,804 0.946,805 4.738,806 1,807 5.517,808 2.686,809 4.143,810 4.844,811 2.228,812 6.33,813 4.095,814 5.987,815 0.437,816 7.077,817 2.275,818 3.761,819 4.691,821 7.222,822 3.674,823 7.311,825 8.733,826 0.768,827 5.74,828 7.15,829 3.563,830 10.309,831 5.655,832 8.668,833 -0.296,834 10.444,836 6.133,837 7.81,839 12.01,840 6.018,841 10.052,842 -0.57,843 12.19,844 -0.636,845 7.604,846 9.732,847 4.962,848 14.625,849 7.489,850 11.457,851 -0.83,852 13.962,853 -1.562,854 8.369,855 10.802,857 16.681,858 8.232,859 12.88,860 -1,861 15.752,862 -2.298,863 9.631,864 12.487,865 6.378,866 19.122,867 9.488,868 3.132,869 -1.1,870 17.557,871 -2.92,872 10.581,873 13.774,875 21.337,876 10.42,877 2.745,878 10.5,879 19.374,880 -3,881 11.756,882 15.353,883 7.797,884 23.713,885 11.586,886 2.319,887 8.841,888 21.201,889 4.533,890 12.798,891 16.751,893 25.998,894 12.611,895 2.194,896 6.336,897 23.036,898 3.768,899 13.939,900 18.284,901 9.217,902 28.35,903 13.74,904 1.99,905 6.111,906 24.877,907 3.203,908 15.027,909 19.738,911 30.666,912 14.811,913 1.416,914 5.756,915 26.724,916 3.011,917 16.157,918 21.253,919 10.638,920 33.011,921 15.928,922 1.076,923 4.111,924 28.575,925 2.794,926 17.267,927 22.734,929 35.342,930 17.021,931 3489,932 6435,933 14.622,934 21.966,935 34.21,936 35.789,937 34.191,938 32.703,939 32.619,940 46.671,941 4.069,942 94.771,943 31.738,944 5.225,945 6.072,946 6.099,947 5.158,948 5.132,949 7.533,950 4.069,951 17.438,952 5.081,953 9.507,954 1.555,955 1.627,956 1.554,957 1.486,958 1.483,959 2.121,960 0.185,961 4.308,962 1.443,963 4.099,964 4.121,965 4.071,966 4.035,967 6.82,968 4.041,969 3.862,970 3.882,971 3.806,972 3.801,973 6.473,974 3.799,975 3.484,976 3.511,977 3.432,978 3.382,979 6.468,980 3.389,981 3.177,982 3.22,983 3.156,984 3.009,985 4.935,986 3.037,987 2.918,988 2.943,989 2.837,990 2.738,991 4.572,992 2.754,993 2.854,994 2.925,995 2.711,996 2.735,997 4.137,998 2.715,999 2.8,1000 2.854,1001 2.687,1002 2.627,1003 3.853,1004 2.644,1005 2.607,1006 2.653,1007 2.472,1008 2.411,1009 3.674,1010 2.416,1011 0.209,1012 0.185,1013 0.299,1014 0.187,1015 0.142,1016 4.593,1017 0.206,1018 4.072,1019 0.092,1020 6.577,1021 0.477,1022 4.116,1023 0.14,1024 3.132,1025 4.533,1026 2.035,1027 10.5,1028 3.081,1029 2.057,1030 2.039,1031 2.113,1032 2.135,1033 1.234,1034 2.129,1035 1.855,1036 1.835,1037 1.957,1038 1.94,1039 1.047,1040 1.946,1041 1.451,1042 1.425,1043 1.565,1044 1.583,1045 0.609,1046 1.575,1047 1.088,1048 1.052,1049 1.199,1050 1.286,1051 0.234,1052 1.251,1053 0.886,1054 0.821,1055 1.181,1056 1.097,1057 0.218,1058 1.107,1059 0.844,1060 0.814,1061 1.032,1062 1.062,1063 0.049,1064 1.072,1065 0.738,1066 0.687,1067 0.886,1068 0.975,1070 0.957,1071 0.554,1072 0.505,1073 0.828,1074 0.84,1076 0.84,1077 3.807,1078 5.13,1080 6.663,1082 8.292,1084 9.972,1089 18.808,1098 9.243,1099 2.118,1100 21.58,1101 45.987,1102 93.207,1103 110.452,1104 132.452,1105 137.207,1106 139.207,1107 31.774,1108 6.762,1109 77.14,1110 77.14,1111 18,1112 12.254,1113 4.248,1114 3.524,1115 29.854,1116 58,1117 60,1118 0.267,1119 134.375,1120 228.76,1121 319.635,1122 6576,1124 14.113,1125 0.706,1126 0.52,1127 14.113,1128 10.408,1129 9.669,1130 0.44,1131 0.273,1132 5.952,1133 9.421,1134 5.827,1135 4.827,1136 9.669,1137 6.005,1138 8.762,1139 0.283,1140 0.142,1141 8.762,1142 4.415,1143 7.378,1144 0.18,1145 0.075,1146 7.378,1147 3.076,1148 6.018,1149 0.111,1150 0.039,1151 6.018,1152 2.086,1153 5.409,1154 0.073,1155 0.02,1156 5.409,1157 1.485,1158 0.403,1159 59.931,1160 0.262,1161 19.564,1162 0.78,1163 106,1164 323.59,1165 112.955,1166 324.876,1167 439.27,1168 300,1169 125,1170 321.286,1171 131.32,1172 330.586,1173 477.2,1174 311,1175 6.342}
{0 CHEMBL198089,1 1.42,2 8.3,3 3.98,4 15.841,5 77.818,6 7.979,7 0.773,8 3.606,9 3.694,10 3.225,11 3.246,12 4.868,13 3.228,14 4.017,15 4.128,16 3.579,17 3.607,18 5.255,19 3.577,20 4.292,21 4.447,22 3.643,23 3.726,24 5.497,25 3.677,26 4.305,27 4.494,28 3.498,29 3.671,30 5.419,31 3.591,32 4.235,33 4.442,34 3.424,35 3.594,36 5.365,37 3.505,38 4.14,39 4.33,40 3.247,41 3.478,42 5.344,43 3.376,44 4.06,45 4.282,46 2.946,47 3.295,48 5.131,49 3.157,50 3.861,51 4.13,52 2.677,53 2.93,54 4.913,55 2.79,56 0.042,57 0.393,58 5.73,59 2.915,60 12.633,61 3.334,62 0.009,63 0.615,64 8.783,65 4.518,66 8.907,67 5.507,68 0.122,69 0.825,70 13.6,71 5.952,72 27.999,73 7.15,74 0.131,75 0.856,76 14.659,77 6.19,78 29.079,79 7.801,80 0.129,81 0.796,82 14.048,83 6.042,84 25.741,85 8.037,86 0.146,87 0.704,88 12.517,89 5.447,90 31.246,91 6.916,92 0.109,93 0.635,94 12.575,95 5.379,96 28.678,97 6.949,98 0.066,99 0.519,100 11.498,101 4.652,102 20.246,103 6.355,104 11,105 31,106 0.259,107 0.534,108 0.707,109 0.829,110 0.855,111 0.866,112 3.059,113 0.849,114 -4.23,115 -4.17,116 -3.94,118 51.5,128 1,129 1,135 8,136 3,137 2,139 2,146 10,148 4,150 4,151 12,153 5,155 4,156 12,158 3,161 2,162 11,164 1,165 1,166 2,167 14,170 1,171 2,172 13,176 2,177 6,181 5,187 5,189 432,190 13.541,191 13.541,192 13.541,193 13.541,194 13.541,195 11.491,196 4.313,197 7.869,198 13.674,199 10.797,200 10.797,201 10.797,202 10.797,203 10.797,204 7.658,205 2.326,206 3.679,207 11.052,208 3.624,209 2.123,210 1.174,211 0.508,212 0.364,213 0.303,214 3.738,216 1,217 1,218 1,219 356,220 2.121,222 147.985,225 78.937,226 1.23,227 18.628,229 1,230 1,231 1,232 1,233 0.6,235 1,236 1,237 0.8,238 42.5,239 166,240 4.581,241 3.145,242 6.577,243 4.116,244 3.132,245 4.524,247 10.5,248 3.083,249 4.139,250 2.803,251 6.084,252 3.733,253 2.745,254 3.768,256 8.841,257 2.712,258 3.717,259 2.538,260 5.228,261 3.281,262 2.319,263 3.191,265 6.336,266 2.227,267 3.577,268 2.372,269 5.054,270 3.162,271 2.194,272 2.966,274 6.111,275 2.115,276 3.418,277 2.044,278 4.949,279 2.95,280 1.99,281 2.786,283 5.756,284 1.902,285 2.887,286 1.474,287 4.391,288 2.39,289 1.416,290 2.063,292 4.111,293 1.375,294 2.6,295 1.085,296 3.812,297 2.07,298 1.076,299 1.568,301 2.686,302 1.068,303 2.5,304 1,305 3.414,306 2,307 1,308 1.5,309 2.275,310 1,311 2.128,312 0.489,313 2.951,314 1.416,315 0.437,316 0.696,317 0.768,318 0.427,319 1.404,320 0.213,321 2.689,322 0.951,327 1.064,328 0.001,329 2.49,330 0.641,331 -0.296,332 -0.384,333 -0.636,334 -0.273,335 0.927,336 -0.552,337 2.329,338 0.407,339 -0.57,340 -0.859,341 -1.562,342 -0.556,343 0.581,344 -0.649,345 2,346 0.123,347 -0.83,348 -1.089,349 -2.298,350 -0.778,351 0.5,352 -1,353 2,355 -1,356 -1.479,357 -2.92,358 -1,359 0.246,360 -1.011,361 1.681,362 -0.144,363 -1.1,364 -1.5,365 -3,366 -1.059,367 9.567,368 0.478,369 0.503,370 0.025,371 30.5,372 1.525,373 18.5,374 0.925,375 12,376 0.6,377 10.921,378 0.546,379 19.833,380 0.601,381 20.846,382 1.042,383 6.222,384 0.311,385 3.447,386 0.172,387 0.122,389 0.366,391 0.966,392 0.878,393 0.776,394 0.784,395 1.075,396 0.76,397 0.632,398 1.138,399 0.757,400 1.014,401 0.573,402 0.925,403 1.065,404 1.077,405 0.989,406 0.967,407 0.977,408 0.963,409 0.9,410 1.056,411 1.055,412 1.001,413 0.868,414 1.034,415 0.524,416 0.962,417 0.881,418 0.974,419 0.5,420 0.975,421 0.813,422 1.014,423 1.145,424 1.127,425 0.793,426 1.173,427 0.891,428 1.038,429 1.163,430 1.156,431 1.047,432 1.197,433 0.713,434 0.985,435 0.814,436 1.068,437 0.768,438 0.982,439 4.5,440 0.041,441 2.444,442 1.063,443 1.48,444 0.792,445 0.321,446 0.236,447 0.197,448 0.04,449 3538,450 10393,451 2.077,452 39.4,454 11,457 2,461 1.621,462 1.935,463 3.026,464 0.262,466 1,469 46.872,470 1.42,471 2.922,472 3.87,473 4.537,474 4.681,475 4.741,476 2.485,477 3.622,478 4.292,479 3.114,480 591.636,481 7.348,482 5849.37,484 1,485 1,486 1,487 166.465,488 1.441,489 4.248,490 0.205,491 0.021,492 0.079,493 0.033,494 0.055,495 0.032,496 0.016,497 0.017,498 0.02,499 0.007,500 0.483,501 1,502 1,503 0.843,504 87.128,505 -0.131,506 0.087,507 -0.013,508 0.133,509 -0.24,510 0.085,511 0.006,512 -0.164,513 0.018,514 -0.097,515 0.037,516 -0.051,517 -0.131,518 -0.072,519 -0.098,520 -0.037,521 -0.096,522 -0.059,523 -0.107,524 -0.039,525 -0.126,526 -0.056,527 -0.124,528 -0.085,529 0.113,530 0.035,531 0.065,532 -0.006,533 0.124,534 0.018,535 0.013,536 -0.042,537 -0.204,538 -0.164,539 0.041,540 -0.206,541 -0.061,542 -0.115,543 -0.154,544 -0.151,545 -0.154,546 -0.164,547 0.147,548 -0.077,549 0.307,550 -0.023,551 0.162,552 0.134,553 1.459,554 3.577,555 0.8,556 13.72,557 1.002,558 1.103,559 2.998,560 8.986,561 0.712,562 3.135,563 3.466,564 3.738,565 4.007,566 4.317,567 4.357,568 4.443,569 4.533,570 4.585,571 4.454,572 4.782,573 0.685,574 263.31,575 3.135,576 4.673,577 5.525,578 6.409,579 7.284,580 8.172,581 9.056,582 9.946,583 10.834,584 11.725,585 3,591 1,592 2,593 8,594 1,596 5,598 17,602 2,605 33,606 18,607 2,608 22,610 35,611 17,612 15,613 5,614 7,615 2,616 3,617 4,628 17,631 1,632 1,634 1,637 1,639 13,640 3,641 2,642 3,645 1,647 0.667,648 2,650 1,654 3,657 1,661 1,662 1,667 2,673 20,674 2,688 6.1,690 2,693 10.333,694 5.85,695 4.417,696 1.804,697 3.441,698 1.509,699 0.963,700 3.069,701 10.202,702 3.481,703 4.143,704 4.802,705 5.45,706 6.119,707 6.468,708 6.926,709 7.375,710 7.799,711 7.988,712 0.833,713 32,714 7.325,715 3.128,716 7.883,717 13.757,718 11.26,719 2.383,720 47.667,723 129.482,724 114.898,725 16.786,727 85.367,730 114.898,731 214.849,732 16.786,734 15.767,735 85.286,736 102.152,737 13.845,739 129.482,741 129.482,742 131.684,743 85.367,746 129.482,747 85.367,749 4.901,750 100.521,751 26.262,753 129.482,754 102.152,755 114.898,756 129.482,757 13.845,758 85.286,760 117.919,761 129.482,762 102.152,763 114.898,764 0.582,765 0.342,766 0.185,767 0.115,768 16,769 7,770 0.057,771 2,772 1,773 1.125,774 3.188,775 153.992,776 0.125,777 16,778 82.439,780 12.548,781 4.892,782 2.357,783 1.658,784 102.152,785 13.885,786 4.584,788 3.066,790 85.367,791 346.532,792 31.5,793 3.81,795 1.743,797 33.058,798 36.408,799 0.282,800 0.579,801 0.767,802 0.899,803 0.928,804 0.94,805 4.694,806 1,807 5.517,808 2.686,809 4.143,810 4.828,812 6.33,813 4.098,814 5.931,815 0.437,816 7.077,817 2.275,818 3.761,819 4.691,821 7.222,822 3.674,823 7.249,825 8.733,826 0.768,827 5.74,828 7.133,830 10.309,831 5.659,832 8.606,833 -0.296,834 10.444,836 6.133,837 7.801,839 12.01,840 6.02,841 9.991,842 -0.57,843 12.19,844 -0.636,845 7.604,846 9.715,848 14.625,849 7.494,850 11.398,851 -0.83,852 13.962,853 -1.562,854 8.369,855 10.787,857 16.681,858 8.236,859 12.823,860 -1,861 15.752,862 -2.298,863 9.631,864 12.469,866 19.122,867 9.493,868 3.132,869 -1.1,870 17.557,871 -2.92,872 10.581,873 13.756,875 21.337,876 10.426,877 2.745,878 10.5,879 19.374,880 -3,881 11.756,882 15.333,884 23.713,885 11.592,886 2.319,887 8.841,888 21.201,889 4.524,890 12.798,891 16.729,893 25.998,894 12.618,895 2.194,896 6.336,897 23.036,898 3.768,899 13.939,900 18.261,902 28.35,903 13.748,904 1.99,905 6.111,906 24.877,907 3.191,908 15.027,909 19.713,911 30.666,912 14.819,913 1.416,914 5.756,915 26.724,916 2.966,917 16.157,918 21.226,920 33.011,921 15.936,922 1.076,923 4.111,924 28.575,925 2.786,926 17.267,927 22.705,929 35.342,930 17.03,931 3489,932 6051,933 14.622,934 23.483,935 33.32,936 32.764,937 34.191,938 32.728,939 32.619,940 46.125,942 94.771,943 31.819,944 5.215,945 5.145,946 6.099,947 5.159,948 5.132,949 7.524,951 17.438,952 5.083,953 9.507,954 1.515,955 1.489,956 1.554,957 1.488,958 1.483,959 2.097,961 4.308,962 1.446,963 4.103,964 4.124,965 4.071,966 4.042,967 6.474,968 4.046,969 3.862,970 3.883,971 3.806,972 3.802,973 6.468,974 3.8,975 3.523,976 3.558,977 3.437,978 3.436,979 4.985,980 3.43,981 3.279,982 3.328,983 3.186,984 3.137,985 4.659,986 3.141,987 2.928,988 2.98,989 2.837,990 2.793,991 4.56,992 2.783,993 2.894,994 2.925,995 2.768,996 2.735,997 4.129,998 2.743,999 2.854,1000 2.916,1001 2.687,1002 2.725,1003 3.8,1004 2.715,1005 2.609,1006 2.656,1007 2.473,1008 2.429,1009 3.674,1010 2.428,1011 0.208,1012 0.143,1013 0.299,1014 0.187,1015 0.142,1016 4.581,1017 0.206,1018 3.145,1020 6.577,1021 0.477,1022 4.116,1023 0.14,1024 3.132,1025 4.524,1027 10.5,1028 3.083,1029 2.064,1030 2.045,1031 2.126,1032 2.139,1033 1.252,1034 2.136,1035 1.856,1036 1.836,1037 1.96,1038 1.941,1039 1.048,1040 1.947,1041 1.525,1042 1.49,1043 1.709,1044 1.65,1045 0.68,1046 1.67,1047 1.246,1048 1.201,1049 1.43,1050 1.429,1051 0.352,1052 1.429,1053 0.921,1054 0.868,1055 1.181,1056 1.112,1057 0.218,1058 1.127,1059 0.886,1060 0.821,1061 1.158,1062 1.072,1063 0.19,1064 1.107,1065 0.816,1066 0.797,1067 0.996,1068 1.062,1069 0.032,1070 1.043,1071 0.57,1072 0.52,1073 0.853,1074 0.84,1076 0.842,1077 3.807,1078 5.13,1080 6.663,1082 8.292,1084 9.972,1089 18.919,1100 22.612,1101 46.872,1102 96.411,1103 127.71,1104 149.71,1105 154.465,1106 156.465,1107 28.365,1108 6.762,1109 53.35,1110 53.35,1111 18,1112 12.254,1113 4.248,1114 3.392,1115 29.854,1116 58,1117 60,1118 0.267,1119 140.1,1120 237.7,1121 333.605,1122 6576,1124 14.113,1125 0.706,1126 0.537,1127 14.113,1128 10.745,1129 9.669,1130 0.44,1131 0.283,1132 6.183,1133 9.465,1134 6.034,1135 5.02,1136 9.669,1137 6.228,1138 8.762,1139 0.283,1140 0.147,1141 8.762,1142 4.549,1143 7.378,1144 0.18,1145 0.078,1146 7.378,1147 3.207,1148 6.018,1149 0.111,1150 0.041,1151 6.018,1152 2.189,1153 5.409,1154 0.073,1155 0.021,1156 5.409,1157 1.567,1158 0.403,1159 59.577,1160 0.262,1161 19.564,1162 0.78,1163 106,1164 291.944,1165 112.261,1166 292.756,1167 403.34,1168 272,1169 125,1170 301.878,1171 130.654,1172 310.332,1173 451.14,1174 293,1175 6.298}
{0 CHEMBL198411,1 1.623,2 8.263,3 4.177,4 17.446,5 75.755,6 10.902,7 0.81,8 3.502,9 3.573,10 3.386,11 3.19,12 4.764,13 3.166,14 3.917,15 4.004,16 3.825,17 3.573,18 5.19,19 3.533,20 4.193,21 4.328,22 3.976,23 3.693,24 5.433,25 3.618,26 4.151,27 4.326,28 3.978,29 3.585,30 5.298,31 3.473,32 3.964,33 4.142,34 3.923,35 3.437,36 5.156,37 3.319,38 3.783,39 3.933,40 3.509,41 3.282,42 4.974,43 3.135,44 3.619,45 3.793,46 3.107,47 3.02,48 4.735,49 2.89,50 3.442,51 3.643,52 3.016,53 2.635,54 4.699,55 2.561,56 0.071,57 0.328,58 2.099,59 2.317,60 11.253,61 2.384,62 0.052,63 0.513,64 2.85,65 3.664,66 6.164,67 4.107,68 0.199,69 0.704,70 12.358,71 5.643,72 27.607,73 5.712,74 0.231,75 0.694,76 16.438,77 5.884,78 29.683,79 6.172,80 0.212,81 0.556,82 16.983,83 5.368,84 23.39,85 5.948,86 0.172,87 0.432,88 24.159,89 4.906,90 19.292,91 4.985,92 0.109,93 0.378,94 14.671,95 3.849,96 14.645,97 4.182,98 0.118,99 0.322,100 8.442,101 3.105,102 13.402,103 3.598,104 10,105 30,106 0.306,107 0.565,108 0.677,109 0.82,110 0.851,111 0.864,112 3.011,113 0.93,114 -4.45,115 -4.38,116 -4.13,117 1,118 51.7,135 8,136 2,137 3,139 2,146 6,148 4,150 4,151 10,153 4,155 4,156 8,158 3,161 1,162 7,165 1,166 2,167 10,170 1,171 1,172 10,176 1,177 4,181 5,187 4,189 374,190 12.671,191 12.671,192 12.671,193 12.671,194 12.671,195 10.621,196 5.957,197 7.345,198 12.937,199 10.359,200 10.359,201 10.359,202 10.359,203 10.359,204 7.331,205 3.001,206 3.521,207 10.886,208 3.235,209 1.862,210 1.267,211 0.509,212 0.345,213 0.276,214 3.689,217 1,218 1,219 339,220 1.871,222 139.492,225 73.926,226 1.252,227 18.191,230 1,231 1,232 1,233 0.4,235 1,236 1,237 0.77,238 40.25,239 157,240 4.566,241 3.264,242 6.535,243 4.075,244 3.117,245 4.509,247 10.31,248 2.977,249 4.137,250 2.813,251 6.08,252 3.726,253 2.742,254 3.767,256 8.819,257 2.695,258 3.709,259 2.585,260 5.083,261 3.266,262 2.312,263 3.18,265 6.148,266 2.196,267 3.526,268 2.468,269 5.05,270 3.084,271 2.154,272 2.899,274 5.895,275 1.99,276 3.382,277 2.181,278 4.948,279 2.858,280 1.947,281 2.756,283 5.707,284 1.705,285 2.883,286 1.475,287 4.383,288 2.387,289 1.414,290 2.059,292 4.104,293 1.369,294 2.5,295 1.16,296 3.692,297 2,298 1,299 1.5,301 2.476,302 1,303 2.419,304 1,305 3.414,306 1.903,307 0.97,308 1.384,309 2.275,310 0.84,311 1.467,312 0.432,313 2.822,314 1.013,315 0.111,316 0.144,317 0.267,318 0.09,319 1.098,320 0.141,321 2.651,322 0.682,323 -0.222,324 -0.277,325 -0.495,326 -0.176,327 0.951,328 -0.12,329 2.34,330 0.436,331 -0.476,332 -0.637,333 -1.258,334 -0.369,335 0.633,336 -0.64,337 2.168,338 0.148,339 -0.764,340 -1.045,341 -2.226,342 -0.666,343 0.5,344 -0.735,345 2,347 -1,348 -1.238,349 -2.651,350 -0.836,351 0.286,352 -1,353 1.682,354 -0.129,355 -1,356 -1.5,357 -3,358 -1,359 -0.02,360 -1.091,361 1.539,362 -0.374,363 -1.287,364 -1.677,365 -3.159,366 -1.182,367 9.9,368 0.521,369 0.541,370 0.028,371 28.5,372 1.5,373 17,374 0.895,375 11.5,376 0.605,377 12.444,378 0.655,379 18.3,380 0.631,381 17.054,382 0.898,383 5.459,384 0.287,385 3.672,386 0.193,387 0.202,389 0.354,391 0.94,392 0.83,393 0.471,394 0.587,395 1.038,396 0.644,397 0.638,398 1.149,399 0.575,400 0.822,401 0.556,402 0.854,403 1.094,404 1.106,405 0.922,406 0.92,407 1.023,408 0.974,409 0.964,410 1.014,411 1.123,412 0.975,413 0.917,414 0.994,415 0.543,416 0.858,417 1.259,418 1.022,419 0.505,420 0.928,421 0.857,422 0.953,423 2.096,424 1.505,425 0.739,426 1.321,427 0.923,428 1.042,429 1.299,430 1.271,431 0.946,432 1.254,433 0.785,434 1.143,435 0.468,436 1.107,437 0.936,438 1.074,439 4.5,440 0.041,441 2.444,442 1.063,443 1.44,444 0.646,445 0.281,446 0.22,447 0.151,448 0.04,449 3165,450 10831,451 2.081,452 34.5,454 8,457 2,461 1.603,462 1.932,463 3.025,464 0.341,466 1,469 47.059,470 1.623,471 2.996,472 3.591,473 4.349,474 4.513,475 4.582,476 2.505,477 3.932,478 4.218,479 3.102,480 530.364,481 7.186,482 5030.29,484 1,485 1,486 1,487 140.881,488 1.462,489 4.171,490 0.214,491 0.021,492 0.081,493 0.035,494 0.06,495 0.031,496 0.018,497 0.018,498 0.017,499 0.008,500 0.503,501 0.67,502 1,503 0.644,504 81.316,505 -0.154,506 0.105,507 -0.012,508 0.119,509 -0.23,510 0.091,511 -0.016,512 -0.206,513 0.002,514 -0.079,515 0.043,516 -0.079,517 -0.178,518 -0.107,519 -0.048,520 -0.025,521 -0.135,522 -0.091,523 -0.101,524 0.02,525 -0.002,526 0.034,527 -0.133,528 -0.006,529 0.215,530 0.115,531 0.055,532 0.066,533 0.18,534 0.126,535 -0.025,536 -0.042,537 -0.298,538 -0.287,539 0.008,540 -0.277,541 -0.088,542 -0.128,543 -0.156,544 -0.228,545 -0.118,546 -0.214,547 0.27,548 -0.226,549 0.151,550 -0.174,551 0.218,552 0.004,553 1.451,554 3.495,555 0.842,556 12.404,557 1.014,558 1.098,559 3.22,560 10.371,561 0.761,562 3.091,563 3.434,564 3.689,565 3.951,566 4.248,567 4.263,568 4.344,569 4.431,570 4.489,571 4.344,572 4.705,573 0.728,574 316.16,575 3.091,576 4.635,577 5.485,578 6.368,579 7.239,580 8.125,581 9.004,582 9.892,583 10.775,584 11.664,585 3.4,591 1,592 2,593 8,594 1,596 5,598 17,602 2,604 1,605 29,606 17,607 2,608 21,609 1,610 31,611 15,612 15,613 5,614 7,616 3,617 4,628 15,637 1,639 10,640 3,641 2,642 4,643 1,645 1,647 0.667,648 2,650 1,654 3,657 1,667 2,669 1,673 19,674 2,687 1,688 6.9,690 2,693 9.833,694 5.16,695 4.083,696 1.59,697 3.376,698 1.506,699 0.973,700 3.07,701 10.044,702 3.418,703 4.111,704 4.751,705 5.39,706 6.047,707 6.369,708 6.816,709 7.264,710 7.702,711 7.858,712 0.833,713 30,714 6.962,715 2.993,716 7.89,717 13.076,718 10.771,719 2.39,720 45.417,721 0.001,723 94.169,724 89.525,725 62.74,727 85.367,730 135.479,731 179.536,732 16.786,735 75.81,736 102.152,737 13.715,739 94.169,740 45.954,741 94.169,742 106.31,743 85.367,745 45.954,746 94.169,747 85.367,749 4.901,750 84.624,751 16.786,752 45.954,753 94.169,754 102.152,755 135.479,756 94.169,757 13.715,758 75.81,759 45.954,760 102.152,761 94.169,762 102.152,763 135.479,764 0.592,765 0.339,766 0.179,767 0.11,768 16,769 7,770 0.032,771 1,772 1,773 1.125,774 3.117,775 143.159,776 0.125,777 16,778 76.711,780 12.302,781 4.741,782 2.382,783 1.665,784 102.152,785 13.855,786 4.554,788 3.052,790 85.367,791 331.8,792 29.5,797 29.404,798 31.835,799 0.334,800 0.617,801 0.739,802 0.895,803 0.929,804 0.943,805 4.637,806 0.97,807 5.485,808 2.476,809 4.111,810 4.796,812 6.293,813 4.015,814 5.884,815 0.111,816 7.045,817 2.275,818 3.761,819 4.691,821 7.168,822 3.561,823 7.21,824 -0.222,825 8.7,826 0.267,827 5.707,828 7.107,830 10.252,831 5.543,832 8.571,833 -0.476,834 10.408,835 -0.495,836 6.111,837 7.782,839 11.928,840 5.853,841 9.958,842 -0.764,843 12.151,844 -1.258,845 7.57,846 9.69,848 14.54,849 7.336,850 11.366,851 -1,852 13.919,853 -2.226,854 8.336,855 10.762,857 16.57,858 8.023,859 12.791,860 -1,861 15.706,862 -2.651,863 9.592,864 12.443,866 19.004,867 9.282,868 3.117,869 -1.287,870 17.506,871 -3,872 10.54,873 13.726,875 21.194,876 10.161,877 2.742,878 10.31,879 19.319,880 -3.159,881 11.71,882 15.302,884 23.557,885 11.316,886 2.312,887 8.819,888 21.141,889 4.509,890 12.748,891 16.694,893 25.818,894 12.294,895 2.154,896 6.148,897 22.971,898 3.767,899 13.885,900 18.224,902 28.154,903 13.402,904 1.947,905 5.895,906 24.807,907 3.18,908 14.967,909 19.671,911 30.449,912 14.429,913 1.414,914 5.707,915 26.649,916 2.899,917 16.094,918 21.182,920 32.776,921 15.517,922 1,923 4.104,924 28.495,925 2.756,926 17.198,927 22.657,929 35.086,930 16.569,931 3103,932 5818,933 13.929,934 22.074,935 31.893,936 32.012,937 32.658,938 31.74,939 31.535,940 44.398,942 92,943 29.723,944 5.195,945 5.264,946 5.949,947 5.117,948 5.117,949 7.509,951 17.204,952 4.977,953 9.046,954 1.519,955 1.524,956 1.555,957 1.511,958 1.502,959 2.114,961 4.381,962 1.415,963 4.09,964 4.109,965 6.881,966 4.038,967 6.474,968 4.035,969 3.861,970 3.881,971 4.007,972 3.801,973 6.468,974 3.798,975 3.439,976 3.462,977 3.799,978 3.367,979 4.958,980 3.351,981 3.031,982 3.066,983 3.33,984 2.947,985 4.575,986 2.929,987 2.914,988 2.929,989 2.839,990 2.735,991 4.16,992 2.751,993 2.854,994 2.925,995 2.827,996 2.734,997 3.983,998 2.715,999 2.611,1000 2.66,1001 2.687,1002 2.469,1003 3.674,1004 2.448,1005 2.426,1006 2.478,1007 2.473,1008 2.275,1009 3.422,1010 2.212,1011 0.217,1012 0.155,1013 0.311,1014 0.194,1015 0.148,1016 4.566,1017 0.215,1018 3.264,1020 6.535,1021 0.491,1022 4.075,1023 0.142,1024 3.117,1025 4.509,1027 10.31,1028 2.977,1029 2.047,1030 2.03,1031 2.091,1032 2.12,1033 1.234,1034 2.118,1035 1.853,1036 1.834,1037 1.953,1038 1.938,1039 1.046,1040 1.944,1041 1.406,1042 1.384,1043 1.504,1044 1.533,1045 0.607,1046 1.532,1047 0.992,1048 0.958,1049 1.181,1050 1.15,1051 0.233,1052 1.162,1053 0.886,1054 0.821,1055 1.164,1056 1.087,1057 0.218,1058 1.107,1059 0.826,1060 0.806,1061 0.997,1062 1.062,1063 0.048,1064 1.052,1065 0.58,1066 0.531,1067 0.852,1068 0.84,1070 0.842,1071 0.278,1072 0.235,1073 0.574,1074 0.638,1076 0.634,1077 3.761,1078 5.094,1080 6.629,1082 8.258,1084 9.936,1085 3.493,1089 18.798,1100 21.11,1101 47.059,1102 86.881,1103 104.127,1104 126.127,1105 130.881,1106 132.881,1107 26.044,1108 6.668,1109 53.35,1110 53.35,1111 18,1112 12.195,1113 4.17,1114 3.248,1115 27.806,1116 54,1117 55,1118 0.267,1119 135.757,1120 225.02,1121 323.007,1122 5907,1123 3.4,1124 13.405,1125 0.706,1126 0.601,1127 14.405,1128 11.424,1129 9.131,1130 0.435,1131 0.31,1132 5.723,1133 8.385,1134 5.554,1135 4.579,1136 9.708,1137 6.513,1138 8.571,1139 0.286,1140 0.17,1141 9.312,1142 5.092,1143 7.048,1144 0.181,1145 0.091,1146 7.712,1147 3.561,1148 5.757,1149 0.113,1150 0.049,1151 6.468,1152 2.487,1153 5.11,1154 0.074,1155 0.026,1156 5.806,1157 1.789,1158 0.404,1159 64.721,1160 0.268,1161 18.743,1162 0.77,1163 102,1164 298.599,1165 174.132,1166 333.129,1167 444.01,1168 308,1169 120,1170 301.611,1171 159.57,1172 321.385,1173 468.38,1174 303,1175 6.674}
{0 CHEMBL198679,1 1.412,2 8.3,3 4.371,4 19.104,5 77.774,6 7.581,7 0.773,8 3.656,9 3.752,10 3.231,11 3.275,12 4.846,13 3.248,14 4.112,15 4.249,16 3.587,17 3.648,18 5.268,19 3.604,20 4.375,21 4.552,22 3.65,23 3.766,24 5.507,25 3.704,26 4.377,27 4.575,28 3.511,29 3.722,30 5.414,31 3.628,32 4.351,33 4.571,34 3.444,35 3.669,36 5.364,37 3.561,38 4.285,39 4.49,40 3.275,41 3.566,42 5.369,43 3.445,44 4.225,45 4.468,46 2.975,47 3.394,48 5.195,49 3.233,50 4.019,51 4.312,52 2.697,53 3.032,54 4.949,55 2.862,56 0.04,57 0.436,58 6.75,59 3.283,60 10.193,61 3.964,62 0.018,63 0.705,64 11.193,65 5.334,66 10.861,67 6.848,68 0.128,69 0.913,70 16.218,71 6.757,72 28.818,73 8.643,74 0.127,75 0.926,76 16.565,77 6.827,78 25.979,79 8.977,80 0.14,81 0.9,82 16.554,83 6.875,84 24.238,85 9.393,86 0.176,87 0.818,88 15.509,89 6.38,90 31.245,91 8.368,92 0.136,93 0.743,94 15.65,95 6.393,96 29.752,97 8.532,98 0.079,99 0.595,100 13.7,101 5.378,102 21.077,103 7.538,104 11,105 31,106 0.256,107 0.591,108 0.706,109 0.82,110 0.844,111 0.855,112 3.059,113 0.899,114 -4.3,115 -4.24,116 -4,118 48.6,119 1,120 1,135 8,136 3,137 2,139 2,146 10,148 4,150 4,151 12,153 5,155 4,156 12,158 3,161 2,162 11,164 1,165 1,166 2,167 14,170 1,171 2,172 13,176 2,177 6,181 5,187 5,189 432,190 13.541,191 13.541,192 13.541,193 13.541,194 13.541,195 11.544,196 7.951,197 7.869,198 13.674,199 10.797,200 10.797,201 10.797,202 10.797,203 10.797,204 7.759,205 3.796,206 3.679,207 11.052,208 3.717,209 1.875,210 1.243,211 0.615,212 0.479,213 0.422,214 3.738,217 1,218 1,219 356,220 2.121,222 147.985,225 78.937,226 1.23,227 17.441,229 1,230 1,231 1,232 1,233 0.6,234 0.5,235 1,236 1,237 0.87,238 42.5,239 166,240 4.576,241 3.196,242 6.577,243 4.116,244 3.132,245 4.516,247 10.5,248 3.083,249 4.138,250 2.807,251 6.084,252 3.733,253 2.745,254 3.767,256 8.841,257 2.712,258 3.713,259 2.554,260 5.228,261 3.281,262 2.319,263 3.184,265 6.336,266 2.227,267 3.553,268 2.427,269 5.054,270 3.162,271 2.194,272 2.928,274 6.111,275 2.115,276 3.405,277 2.142,278 4.949,279 2.95,280 1.99,281 2.773,283 5.756,284 1.902,285 2.885,286 1.475,287 4.391,288 2.39,289 1.416,290 2.061,292 4.111,293 1.375,294 2.5,295 1.168,296 3.812,297 2.07,298 1.076,299 1.5,301 2.686,302 1.068,303 2.479,304 1,305 3.414,306 2,307 1,308 1.471,309 2.275,310 1,311 1.683,312 0.533,313 2.951,314 1.416,315 0.437,316 0.525,317 0.768,318 0.427,319 1.301,320 0.217,321 2.689,322 0.951,327 1.031,328 0.001,329 2.49,330 0.641,331 -0.296,332 -0.37,333 -0.636,334 -0.273,335 0.891,336 -0.525,337 2.329,338 0.407,339 -0.57,340 -0.805,341 -1.562,342 -0.556,343 0.541,344 -0.648,345 2,346 0.123,347 -0.83,348 -1.076,349 -2.298,350 -0.778,351 0.5,352 -0.939,353 2,355 -1,356 -1.367,357 -2.92,358 -1,359 0.221,360 -1,361 1.681,362 -0.144,363 -1.1,364 -1.5,365 -3,366 -1.059,367 9.567,368 0.478,369 0.503,370 0.025,371 29,372 1.45,373 17,374 0.85,375 12,376 0.6,377 12.728,378 0.636,379 20.433,380 0.584,381 19.039,382 0.952,383 5.64,384 0.282,385 4.029,386 0.201,387 0.122,389 0.366,391 0.959,392 0.936,393 0.814,394 0.848,395 1.021,396 0.819,397 0.6,398 1.124,399 0.756,400 1.009,401 0.523,402 0.922,403 1.014,404 1.059,405 0.949,406 0.953,407 0.94,408 0.941,409 0.875,410 1.099,411 1.066,412 1.049,413 0.839,414 1.071,415 0.532,416 1.002,417 0.931,418 1.018,419 0.497,420 1.021,421 0.903,422 1.037,423 1.192,424 1.14,425 0.891,426 1.192,427 0.917,428 1.012,429 1.132,430 1.114,431 1.014,432 1.152,433 0.633,434 0.932,435 0.764,436 1.002,437 0.683,438 0.923,439 4.5,440 0.041,441 2.444,442 1.063,443 1.48,444 0.792,445 0.321,446 0.236,447 0.197,448 0.04,449 3538,450 9744,451 2.077,452 42.9,453 5,454 8,457 2,461 1.621,462 1.935,463 3.026,464 0.262,466 1,469 49.435,470 1.412,471 3.255,472 3.886,473 4.515,474 4.651,475 4.708,476 2.485,477 3.622,478 4.292,479 3.114,480 591.636,481 7.348,482 5849.37,484 1,486 1,487 179.525,488 1.441,489 4.248,490 0.205,491 0.021,492 0.079,493 0.033,494 0.055,495 0.032,496 0.016,497 0.017,498 0.02,499 0.007,500 0.483,501 0.83,502 1,503 0.843,504 87.128,505 -0.12,506 0.079,507 -0.004,508 0.123,509 -0.182,510 0.082,511 0.028,512 -0.114,513 0.08,514 -0.039,515 0.084,516 0.015,517 -0.098,518 -0.044,519 -0.03,520 0.003,521 -0.059,522 -0.004,523 -0.098,524 -0.08,525 -0.143,526 -0.095,527 -0.113,528 -0.119,529 0.093,530 0.004,531 0.005,532 -0.051,533 0.081,534 -0.036,535 -0.026,536 -0.052,537 -0.245,538 -0.176,539 -0.029,540 -0.229,541 -0.065,542 -0.095,543 -0.134,544 -0.121,545 -0.12,546 -0.134,547 0.156,548 -0.047,549 0.305,550 0.008,551 0.158,552 0.151,553 1.421,554 3.612,555 0.8,556 13.72,557 0.998,558 1.109,559 3.073,560 9.445,561 0.693,562 3.135,563 3.466,564 3.738,565 4.007,566 4.317,567 4.357,568 4.443,569 4.533,570 4.585,571 4.454,572 4.782,573 0.661,574 265.33,575 3.135,576 4.673,577 5.525,578 6.409,579 7.284,580 8.172,581 9.056,582 9.946,583 10.834,584 11.725,585 2.9,591 1,592 2,593 8,594 1,596 5,598 17,602 2,605 35,606 17,607 2,608 22,610 37,611 17,612 15,613 5,614 7,616 3,617 4,620 1,626 1,628 15,629 2,637 1,639 15,640 3,641 2,642 3,645 1,647 0.667,648 2,650 1,654 3,657 1,667 2,670 1,673 20,674 2,675 1,688 5.7,690 2,693 10.333,694 6.517,695 4.417,696 2.179,697 3.365,698 1.498,699 0.957,700 3.227,701 10.126,702 3.45,703 4.127,704 4.777,705 5.421,706 6.084,707 6.419,708 6.873,709 7.321,710 7.752,711 7.925,712 0.833,713 32,714 7.355,715 3.13,716 7.808,717 13.996,718 11.514,719 2.308,720 46.167,721 0.001,723 153.024,724 101.015,725 16.786,727 85.367,730 101.015,731 238.391,732 16.786,733 8.825,734 2.535,735 75.81,736 102.152,737 13.845,739 153.024,741 153.024,742 117.8,743 85.367,746 153.024,747 85.367,749 16.261,750 84.754,751 16.786,753 153.024,754 102.152,755 101.015,756 153.024,757 16.38,758 84.635,760 102.152,761 153.024,762 102.152,763 101.015,764 0.582,765 0.342,766 0.185,767 0.115,768 16,769 7,770 0.054,771 2,772 1,773 1.125,774 3.188,775 153.992,776 0.125,777 16,778 82.439,780 12.795,781 5.044,782 2.447,783 1.847,784 102.152,785 14.277,786 4.632,788 3.489,790 85.367,791 356.191,792 30.5,797 34.942,798 38.824,799 0.275,800 0.635,801 0.758,802 0.88,803 0.907,804 0.918,805 4.666,806 1,807 5.517,808 2.686,809 4.143,810 4.812,812 6.33,813 4.098,814 5.904,815 0.437,816 7.077,817 2.275,818 3.761,819 4.691,821 7.222,822 3.674,823 7.227,825 8.733,826 0.768,827 5.74,828 7.118,830 10.309,831 5.659,832 8.587,833 -0.296,834 10.444,836 6.133,837 7.791,839 12.01,840 6.02,841 9.975,842 -0.57,843 12.19,844 -0.636,845 7.604,846 9.701,848 14.625,849 7.494,850 11.384,851 -0.83,852 13.962,853 -1.562,854 8.369,855 10.774,857 16.681,858 8.236,859 12.81,860 -1,861 15.752,862 -2.298,863 9.631,864 12.455,866 19.122,867 9.493,868 3.132,869 -1.1,870 17.557,871 -2.92,872 10.581,873 13.74,875 21.337,876 10.426,877 2.745,878 10.5,879 19.374,880 -3,881 11.756,882 15.316,884 23.713,885 11.592,886 2.319,887 8.841,888 21.201,889 4.516,890 12.798,891 16.71,893 25.998,894 12.618,895 2.194,896 6.336,897 23.036,898 3.767,899 13.939,900 18.241,902 28.35,903 13.748,904 1.99,905 6.111,906 24.877,907 3.184,908 15.027,909 19.691,911 30.666,912 14.819,913 1.416,914 5.756,915 26.724,916 2.928,917 16.157,918 21.203,920 33.011,921 15.936,922 1.076,923 4.111,924 28.575,925 2.773,926 17.267,927 22.68,929 35.342,930 17.03,931 3489,932 5869,933 14.622,934 24.245,935 32.911,936 32.856,937 34.191,938 32.728,939 32.619,940 45.451,942 94.771,943 31.819,944 5.222,945 5.196,946 6.099,947 5.159,948 5.132,949 7.516,951 17.438,952 5.083,953 9.507,954 1.496,955 1.493,956 1.554,957 1.488,958 1.483,959 2.066,961 4.308,962 1.446,963 4.105,964 4.127,965 4.07,966 4.041,967 6.474,968 4.045,969 3.862,970 3.883,971 3.806,972 3.802,973 6.468,974 3.799,975 3.538,976 3.59,977 3.429,978 3.433,979 4.951,980 3.424,981 3.309,982 3.364,983 3.179,984 3.146,985 4.574,986 3.145,987 2.949,988 3.009,989 2.837,990 2.814,991 4.177,992 2.802,993 2.908,994 2.925,995 2.788,996 2.735,997 4.066,998 2.747,999 2.854,1000 2.924,1001 2.687,1002 2.728,1003 3.71,1004 2.715,1005 2.61,1006 2.66,1007 2.473,1008 2.436,1009 3.674,1010 2.433,1011 0.208,1012 0.145,1013 0.299,1014 0.187,1015 0.142,1016 4.576,1017 0.205,1018 3.196,1020 6.577,1021 0.477,1022 4.116,1023 0.14,1024 3.132,1025 4.516,1027 10.5,1028 3.083,1029 2.065,1030 2.046,1031 2.135,1032 2.144,1033 1.304,1034 2.142,1035 1.856,1036 1.836,1037 1.962,1038 1.942,1039 1.057,1040 1.948,1041 1.549,1042 1.5,1043 1.801,1044 1.71,1045 0.939,1046 1.744,1047 1.282,1048 1.227,1049 1.479,1050 1.473,1051 0.552,1052 1.474,1053 0.948,1054 0.893,1055 1.181,1056 1.136,1057 0.245,1058 1.153,1059 0.886,1060 0.821,1061 1.176,1062 1.086,1063 0.218,1064 1.107,1065 0.822,1066 0.802,1067 1.023,1068 1.062,1069 0.105,1070 1.053,1071 0.582,1072 0.527,1073 0.92,1074 0.84,1075 0.008,1076 0.851,1077 3.807,1078 5.13,1080 6.663,1082 8.292,1084 9.972,1086 2.083,1089 18.97,1090 0.869,1100 23.139,1101 49.435,1102 113.915,1103 136.015,1104 158.015,1105 162.77,1106 164.77,1107 28.126,1108 6.762,1109 53.35,1110 53.35,1111 18,1112 12.254,1113 4.17,1114 3.248,1115 29.854,1116 58,1117 60,1118 0.267,1119 143.028,1120 240.34,1121 340.748,1122 6576,1124 14.113,1125 0.706,1126 0.558,1127 14.113,1128 11.168,1129 9.669,1130 0.44,1131 0.3,1132 6.546,1133 9.465,1134 6.364,1135 5.304,1136 9.669,1137 6.592,1138 8.762,1139 0.283,1140 0.154,1141 8.762,1142 4.768,1143 7.378,1144 0.18,1145 0.083,1146 7.378,1147 3.422,1148 6.018,1149 0.111,1150 0.044,1151 6.018,1152 2.356,1153 5.409,1154 0.073,1155 0.023,1156 5.409,1157 1.701,1158 0.403,1159 59.577,1160 0.262,1161 19.564,1162 0.78,1163 106,1164 283.944,1165 112.261,1166 283.484,1167 391.79,1168 264,1169 125,1170 293.878,1171 130.654,1172 301.388,1173 439.22,1174 285,1175 6.198}
{0 CHEMBL229861,1 1.677,2 7.818,3 2.506,4 6.282,5 83.593,6 7.995,7 0.25,8 3.791,9 3.904,10 3.412,11 3.338,12 4.906,13 3.314,14 4.381,15 4.557,16 3.855,17 3.785,18 5.389,19 3.739,20 4.696,21 4.897,22 4.066,23 3.988,24 5.765,25 3.925,26 4.797,27 5,28 4.03,29 3.995,30 5.985,31 3.925,32 4.766,33 4.975,34 3.847,35 3.949,36 5.976,37 3.849,38 4.749,39 4.987,40 3.74,41 3.86,42 5.863,43 3.713,44 4.546,45 4.824,46 3.441,47 3.648,48 5.496,49 3.451,50 4.282,51 4.567,52 3.115,53 3.228,54 5.52,55 3.023,56 0.05,57 0.583,58 7.638,59 3.631,60 14.779,61 4.686,62 0.26,63 0.982,64 16.424,65 6.382,66 25.531,67 8.642,68 0.336,69 1.224,70 25.217,71 8.754,72 49.771,73 11.735,74 0.608,75 1.269,76 32.731,77 9.111,78 81.782,79 12.026,80 0.502,81 1.23,82 27.913,83 9.588,84 90.719,85 12.633,86 0.613,87 1.115,88 31.51,89 9.766,90 98.965,91 12.924,92 0.268,93 0.874,94 28.091,95 9.024,96 49.987,97 12.515,98 0.494,99 0.598,100 27.107,101 6.502,102 88.109,103 8.816,104 41,105 36,106 0.3,107 0.655,108 0.848,109 0.883,110 0.883,111 0.883,112 3.149,113 0.982,114 -3.37,115 -3.35,116 -3.21,118 40,119 2,120 2,124 1,125 3,135 2,136 2,137 2,143 1,144 1,146 4,147 3,148 5,150 1,151 5,153 5,154 1,156 5,158 13,159 1,161 1,162 5,164 6,165 1,166 1,167 5,168 1,169 4,171 2,172 6,176 2,177 4,178 2,179 1,181 2,182 2,184 1,189 588,190 14.707,191 14.707,192 14.707,193 14.707,194 14.707,195 13.677,196 19.105,197 8.126,198 15.009,199 11.602,200 11.602,201 11.602,202 11.602,203 11.602,204 9.948,205 26.058,206 3.557,207 12.197,208 3.645,209 1.665,210 0.588,211 0.388,212 0.388,213 0.388,214 3.817,215 1,216 1,217 1,218 1,219 363,220 2.646,221 93.979,222 63.788,223 77.235,226 1.124,227 30.312,228 1,229 1,230 1,231 1,232 1,233 0.8,234 0.5,235 1,236 1,237 0.9,238 47.833,239 172,240 4.592,241 4.083,242 7.226,243 4.389,244 3.443,245 4.198,246 2.035,247 12.756,248 3.252,249 4.337,250 3.96,251 6.62,252 3.993,253 3.041,254 3.562,255 1.741,256 10.377,257 2.878,258 3.803,259 3.304,260 6.127,261 3.483,262 2.54,263 3.015,264 0.693,265 8.645,266 2.384,267 3.463,268 3.006,269 5.667,270 3.12,271 2.145,272 2.521,273 0.343,274 7.043,275 2.081,276 3.262,277 2.74,278 5.389,279 3.003,280 2.026,281 2.312,283 6.285,284 1.973,285 2.998,286 2.179,287 4.737,288 2.607,289 1.664,290 2.06,292 4.587,293 1.535,294 2.91,295 1.958,296 4.427,297 2.198,298 1.256,299 1.39,301 3.647,302 1.167,303 2.394,304 1.896,305 3.679,306 1.891,307 0.91,308 1.181,309 2.183,310 0.89,311 1.945,312 1.317,313 3.365,314 1.632,315 0.699,316 0.918,317 1.237,318 0.629,319 1.735,320 1.014,321 3.105,322 1.468,323 0.517,324 0.576,325 1.007,326 0.465,327 1.376,328 0.867,329 2.737,330 1.018,331 0.103,332 0.119,333 0.192,334 0.085,335 1.132,336 0.292,337 2.432,338 0.698,339 -0.231,340 -0.328,341 -0.408,342 -0.202,343 0.826,344 0.183,345 2.264,346 0.424,347 -0.546,348 -0.655,349 -1.267,350 -0.512,351 0.245,352 -0.375,353 2.237,354 0.116,355 -0.814,356 -0.93,357 -1.849,358 -0.756,359 0.04,360 -0.567,361 2,362 -0.266,363 -1.237,364 -1.328,365 -3.365,366 -1.02,367 10.581,368 0.481,369 0.666,370 0.03,371 25.5,372 1.159,373 11,374 0.5,375 14.5,376 0.659,377 21.617,378 0.983,379 24.219,380 0.605,381 17.594,382 0.8,383 4.539,384 0.206,385 5.967,386 0.271,387 0.263,389 0.454,391 0.742,392 1.419,393 0.631,394 1.032,395 0.609,396 0.952,397 0.632,398 1.087,399 0.636,400 0.862,401 0.519,402 0.855,403 0.946,404 1.103,405 0.754,406 0.889,407 0.757,408 0.874,409 1.335,410 0.965,411 1.178,412 1.012,413 1.185,414 1.003,415 1.133,416 1.088,417 0.924,418 1.062,419 1.114,420 1.111,421 1.125,422 0.868,423 1.016,424 1.005,425 1.257,426 1.085,427 0.639,428 0.984,429 1,430 1.091,431 0.543,432 1.041,433 1.052,434 0.714,435 1.524,436 1.063,437 0.99,438 0.982,439 4,440 0.012,441 3.556,442 3.014,443 2.154,444 0.959,445 0.568,446 0.339,447 0.158,448 0.046,449 4020,450 12522,451 1.991,452 45,453 6,454 7,457 1,459 2,460 2,461 1.653,462 1.784,463 2.932,464 -0.265,465 1,466 1,468 1,469 67.064,470 1.677,471 3.657,472 4.734,473 4.934,474 4.934,475 4.934,476 2.431,477 4.005,478 4.431,479 3.038,480 701.756,481 7.653,482 7301.04,483 1,484 1,486 1,487 212.877,488 1.539,489 4.344,490 0.167,491 0.006,492 0.099,493 0.074,494 0.057,495 0.03,496 0.024,497 0.019,498 0.014,499 0.009,500 0.498,501 0.5,502 1,503 1.028,504 97.75,505 -0.062,506 -0.204,507 0.016,508 -0.031,509 -0.021,510 0.004,511 0.117,512 0.054,513 0.099,514 0.098,515 0.036,516 0.096,517 -0.029,518 -0.055,519 0.108,520 0.073,521 0.005,522 0.084,523 -0.145,524 0.058,525 -0.139,526 -0.057,527 -0.088,528 -0.073,529 -0.079,530 -0.11,531 -0.111,532 -0.109,533 -0.002,534 -0.156,535 -0.052,536 0.037,537 -0.049,538 -0.029,539 -0.121,540 -0.103,541 0.078,542 -0.16,543 0.096,544 -0.053,545 0.07,546 0.027,547 0.109,548 0.052,549 -0.041,550 -0.02,551 0.113,552 0.057,553 1.812,554 5.753,555 0.636,556 14.091,557 1.009,558 1.129,559 2.138,560 4.569,561 0.672,562 3.219,563 3.611,564 4.007,565 4.331,566 4.522,567 4.635,568 4.736,569 4.762,570 4.71,571 4.615,572 4.652,573 0.638,574 319.82,575 3.219,576 4.796,577 5.707,578 6.637,579 7.568,580 8.505,581 9.441,582 10.38,583 11.32,584 12.261,585 7.5,588 2,590 1,593 2,596 4,598 6,599 1,604 1,605 40,606 8,607 1,608 24,610 42,611 16,612 6,613 4,614 2,616 3,617 4,618 1,619 1,620 2,623 4,626 5,627 1,628 7,629 8,631 1,633 1,635 1,636 1,637 1,639 18,640 5,641 1,642 6,643 1,645 3,647 0.667,648 2,649 1,652 1,653 2,654 1,655 1,666 1,667 2,670 2,671 1,673 22,674 1,675 3,679 3,680 2,682 1,684 1,686 1,687 1,688 5,689 1,691 1,693 12.333,694 7.776,695 4.944,696 2.661,697 1.383,698 1.199,699 0.913,700 3.962,701 8.331,702 3.434,703 3.961,704 4.541,705 5.043,706 5.463,707 5.701,708 5.979,709 6.169,710 6.189,711 6.291,712 1,713 41,714 8.2,715 3.643,716 7.975,717 15.483,718 13.323,719 2.475,720 54.444,723 200.109,724 77.284,725 37.308,726 39.149,727 67.828,730 77.284,731 307.086,732 37.308,733 17.65,734 13.423,735 61.636,736 41.747,737 43.688,738 4.276,739 200.109,740 39.149,741 200.109,742 114.592,743 67.828,744 39.149,746 153.024,747 72.229,748 42.683,749 62.133,750 52.459,751 39.149,753 200.109,754 105.136,755 116.432,756 200.109,757 24.079,758 42.852,759 16.602,760 138.036,761 200.109,762 105.136,763 116.432,764 0.594,765 0.395,766 0.224,767 0.116,768 19,769 10,770 0.048,771 2,772 1,773 1.143,774 3.161,775 185.445,776 0.143,777 14,778 98.107,780 15.454,781 5.64,782 2.189,784 105.136,785 3.416,788 2.24,790 42.683,791 421.677,792 30,794 12.753,796 -0.086,797 40.353,798 45.179,799 0.315,800 0.687,801 0.89,802 0.927,803 0.927,804 0.927,805 4.749,806 0.91,807 5.746,808 3.647,809 4.29,810 4.644,811 2.732,812 6.688,813 4.188,814 5.967,815 0.699,816 7.398,817 2.183,818 4.111,819 4.575,820 1.404,821 7.851,822 3.931,823 7.301,824 0.517,825 9.15,826 1.237,827 6.014,828 6.76,829 3.865,830 11.03,831 5.807,832 8.669,833 0.103,834 10.957,835 1.007,836 6.661,837 7.509,838 2.602,839 13.005,840 6.37,841 10.069,842 -0.231,843 12.799,844 0.192,845 8.078,846 9.218,847 5.168,848 15.734,849 7.755,850 11.491,851 -0.546,852 14.664,853 -0.408,854 9.064,855 10.317,856 3.779,857 18.038,858 8.663,859 12.932,860 -0.814,861 16.546,862 -1.267,863 10.33,864 11.858,865 6.523,866 20.628,867 9.887,868 3.443,869 -1.237,870 18.443,871 -1.849,872 11.453,873 13.12,874 4.932,875 23.067,876 10.941,877 3.041,878 12.756,879 20.35,880 -3.365,881 12.676,882 14.595,883 7.902,884 25.614,885 12.114,886 2.54,887 10.377,888 22.266,889 4.198,890 13.853,891 15.934,892 6.067,893 28.11,894 13.228,895 2.145,896 8.645,897 24.19,898 3.562,899 15.068,900 17.382,901 9.294,902 30.647,903 14.389,904 2.026,905 7.043,906 26.12,907 3.015,908 16.269,909 18.762,910 7.191,911 33.167,912 15.53,913 1.664,914 6.285,915 28.056,916 2.521,917 17.484,918 20.198,919 10.694,920 35.704,921 16.69,922 1.256,923 4.587,924 29.997,925 2.312,926 18.697,927 21.601,928 8.309,929 38.236,930 17.845,931 4082,932 7280,933 15.145,934 26.875,935 38.128,936 41.05,937 40.684,938 36.797,939 36.687,940 43.703,941 9.624,942 115.919,943 34.678,944 5.592,945 6.083,946 6.766,947 5.45,948 5.443,949 7.198,950 4.069,951 20.587,952 5.252,953 13.645,954 1.589,955 1.71,956 1.695,957 1.533,958 1.529,959 1.821,960 0.401,961 4.83,962 1.445,963 4.047,964 4.086,965 4.074,966 3.939,967 7.428,968 3.944,969 3.867,970 3.898,971 3.872,972 3.755,973 6.82,974 3.761,975 3.507,976 3.582,977 3.396,978 3.349,979 6.449,980 3.334,981 3.314,982 3.368,983 3.281,984 3.145,985 4.884,986 3.155,987 3.213,988 3.279,989 3.216,990 3.006,991 4.391,992 3.008,993 3.03,994 3.086,995 3.076,996 2.844,997 4.215,998 2.861,999 2.948,1000 3.027,1001 2.835,1002 2.716,1003 3.979,1004 2.711,1005 2.636,1006 2.696,1007 2.728,1008 2.486,1009 3.859,1010 2.464,1011 0.191,1012 0.17,1013 0.301,1014 0.183,1015 0.143,1016 4.592,1017 0.175,1018 4.083,1019 0.085,1020 7.226,1021 0.531,1022 4.389,1023 0.135,1024 3.443,1025 4.198,1026 2.035,1027 12.756,1028 3.252,1029 1.932,1030 1.913,1031 2.009,1032 2.017,1033 1.32,1034 2.02,1035 1.695,1036 1.644,1037 1.909,1038 1.852,1039 1.138,1040 1.873,1041 1.524,1042 1.455,1043 1.791,1044 1.745,1045 1.103,1046 1.758,1047 1.375,1048 1.325,1049 1.582,1050 1.638,1051 0.848,1052 1.619,1053 1.262,1054 1.196,1055 1.553,1056 1.458,1057 0.602,1058 1.489,1059 1.13,1060 1.06,1061 1.31,1062 1.382,1063 0.447,1064 1.381,1065 0.916,1066 0.863,1067 1.087,1068 1.148,1069 0.103,1070 1.131,1071 0.556,1072 0.496,1073 0.91,1074 0.954,1075 0.001,1076 0.944,1077 3.892,1078 5.263,1079 3.045,1080 6.843,1081 5.533,1082 8.521,1083 7.735,1084 10.253,1086 3.832,1087 6.241,1089 10.2,1090 1.968,1094 -0.716,1095 3.486,1098 9.059,1099 2.051,1100 25.536,1101 67.064,1102 146.274,1103 189.367,1104 197.367,1105 197.367,1106 197.367,1107 51.679,1108 6.949,1109 67.57,1110 67.57,1111 16,1112 12.756,1113 3.17,1114 2.807,1115 34.185,1116 60,1117 70,1118 0.291,1119 161.212,1120 287.33,1121 385.116,1122 7718,1123 2.5,1124 16.016,1125 0.728,1126 0.606,1127 16.516,1128 13.339,1129 10.506,1130 0.438,1131 0.327,1132 7.42,1133 9.882,1134 7.182,1135 5.911,1136 10.795,1137 7.857,1138 9.432,1139 0.262,1140 0.173,1141 9.766,1142 6.229,1143 8.987,1144 0.166,1145 0.097,1146 9.486,1147 5.241,1148 7.669,1149 0.102,1150 0.051,1151 7.994,1152 3.849,1153 5.901,1154 0.065,1155 0.028,1156 6.062,1157 2.54,1158 0.43,1159 68.76,1160 0.257,1161 20.835,1162 0.887,1163 120,1164 349.024,1165 146.526,1166 367.739,1167 486.56,1168 340,1169 150,1170 331.223,1171 176.057,1172 343.892,1173 513.8,1174 324,1175 5}
{0 CHEMBL2326068,1 1.415,2 15.55,3 6.574,4 43.22,5 155.405,6 6.713,7 0.37,8 4.493,9 4.61,10 3.984,11 4.036,12 5.451,13 3.996,14 5.114,15 5.282,16 4.4,17 4.523,18 5.98,19 4.455,20 5.501,21 5.718,22 4.498,23 4.751,24 6.318,25 4.636,26 5.652,27 5.904,28 4.419,29 4.81,30 6.395,31 4.652,32 5.657,33 5.935,34 4.353,35 4.779,36 6.343,37 4.602,38 5.586,39 5.868,40 4.276,41 4.692,42 6.296,43 4.515,44 5.503,45 5.785,46 4.193,47 4.579,48 6.268,49 4.413,50 5.39,51 5.665,52 4.104,53 4.455,54 6.199,55 4.3,56 0.125,57 1.151,58 19.298,59 8.586,60 15.739,61 11.315,62 0.225,63 2.009,64 36.935,65 15.286,66 28.585,67 20.797,68 0.604,69 2.717,70 56.155,71 21.7,72 58.761,73 30.196,74 0.709,75 3.063,76 66.108,77 24.682,78 71.404,79 35.243,80 0.63,81 3.047,82 66.459,83 24.993,84 65.973,85 36.394,86 0.515,87 2.834,88 61.898,89 23.069,90 55.306,91 33.772,92 0.538,93 2.559,94 57.549,95 20.593,96 64.892,97 30.047,98 0.521,99 2.292,100 51.619,101 17.817,102 64.25,103 26.033,104 10,105 68,106 0.215,107 0.52,108 0.763,109 0.886,110 0.902,111 0.91,112 3.717,113 0.995,114 -5.74,115 -5.6,116 -5.22,118 40.7,119 1,120 9,121 4,122 1,124 2,125 2,135 7,136 2,137 3,139 1,140 1,145 2,146 24,147 1,148 3,150 4,151 33,152 2,153 7,155 6,156 37,157 2,158 5,161 4,162 33,163 2,164 4,166 4,167 28,168 1,169 7,171 6,172 21,174 10,176 6,177 14,179 12,181 6,182 6,184 14,187 4,188 4,189 3290,190 27.443,191 27.443,192 27.443,193 27.443,194 27.443,195 25.346,196 26.92,197 15.846,198 27.842,199 22.73,200 22.73,201 22.73,202 22.73,203 22.73,204 19.569,205 24.296,206 7.546,207 23.447,208 4.924,209 2.918,210 1.324,211 0.512,212 0.404,213 0.355,214 4.444,219 1421,220 3.808,221 168.524,222 466.404,224 120.883,225 463.655,226 2.29,227 34.893,230 0.5,231 0.5,232 0.83,233 0.9,234 1,235 0.83,236 1,237 0.8,238 85.5,239 622,240 4.663,241 3.701,242 7.876,243 4.645,244 3.65,245 3.984,246 0.86,247 14.645,248 3.63,249 4.36,250 3.335,251 6.88,252 4.15,253 3.154,254 3.818,255 0.86,256 11.437,257 3.142,258 4.236,259 3.325,260 6.186,261 3.867,262 2.939,263 3.732,265 9.244,266 2.722,267 4.117,268 2.905,269 6.154,270 3.697,271 2.741,272 3.613,274 8.823,275 2.617,276 3.784,277 2.7,278 5.701,279 3.578,280 2.589,281 2.986,283 8.042,284 2.559,285 3.442,286 2.559,287 5.428,288 3.254,289 2.294,290 2.579,292 6.883,293 2.217,294 3.416,295 2.435,296 5.274,297 3.219,298 2.236,299 2.558,301 6.757,302 2.173,303 3.181,304 2.262,305 5.259,306 2.973,307 2.002,308 2.284,309 5.789,310 1.936,311 3.08,312 2.171,313 4.877,314 2.815,315 1.854,316 2.221,317 5.272,318 1.779,319 2.926,320 2.072,321 4.757,322 2.669,323 1.68,324 2.068,325 4.972,326 1.66,327 2.816,328 1.889,329 4.639,330 2.587,331 1.62,332 1.915,333 4.463,334 1.558,335 2.728,336 1.696,337 4.407,338 2.53,339 1.618,340 1.757,341 4.353,342 1.469,343 2.692,344 1.473,345 4.095,346 2.394,347 1.41,348 1.696,349 3.358,350 1.383,351 2.522,352 1.413,353 3.698,354 2.339,355 1.355,356 1.524,357 3.005,358 1.329,359 2.378,360 1.201,361 3.616,362 2.169,363 1.174,364 1.366,365 2.849,366 1.168,367 19.033,368 0.476,369 1.041,370 0.026,371 42.75,372 1.069,373 17.5,374 0.438,375 25.25,376 0.631,377 51.19,378 1.28,379 44.567,380 0.55,381 29.517,382 0.738,383 6.947,384 0.174,385 12.528,386 0.313,387 0.061,388 0.026,389 0.336,391 0.826,392 1.115,393 0.878,394 1.102,395 0.889,396 1.017,397 0.891,398 1.169,399 0.948,400 1.136,401 0.67,402 1.063,403 0.945,404 1.077,405 1.045,406 1.105,407 0.87,408 1.094,409 0.899,410 1.023,411 1.083,412 1.068,413 0.949,414 1.097,415 0.621,416 0.981,417 0.944,418 1.011,419 0.683,420 1.019,421 0.607,422 1.023,423 0.928,424 1.037,425 0.719,426 1.025,427 0.855,428 0.967,429 0.931,430 0.95,431 1.067,432 0.95,433 1.018,434 1.017,435 0.991,436 0.973,437 1.202,438 0.976,439 8.5,440 0.246,441 5.111,442 3.486,443 2.68,444 1.449,445 1.094,446 0.539,447 0.495,448 0.277,449 31664,450 66729,451 2.204,452 50.6,453 21,454 13,455 1,457 2,458 2,459 2,461 1.796,462 2.096,463 3.826,464 0.075,469 114.648,470 1.415,471 3.421,472 5.016,473 5.827,474 5.935,475 5.985,476 3.153,477 5.172,478 5.296,479 4.097,480 3195.58,481 9.319,482 57449.3,487 513.528,488 1.399,489 5.265,490 0.185,491 0.006,492 0.075,493 0.049,494 0.043,495 0.025,496 0.02,497 0.011,498 0.011,499 0.007,500 0.431,501 0.17,502 0.63,503 0.413,504 228.522,505 0.04,506 0.102,507 0.073,508 0.053,509 -0.019,510 0.06,511 -0.015,512 -0.04,513 0.011,514 -0.04,515 0.048,516 -0.016,517 0.012,518 -0.046,519 -0.071,520 -0.068,521 0.003,522 -0.078,523 -0.039,524 -0.033,525 -0.114,526 -0.066,527 -0.064,528 -0.096,529 0.045,530 -0.019,531 0.007,532 -0.02,533 0.007,534 -0.013,535 0.046,536 -0.063,537 0.023,538 -0.05,539 0.022,540 -0.021,541 -0.024,542 -0.021,543 0.043,544 0.018,545 -0.033,546 0.036,547 -0.061,548 -0.056,549 -0.002,550 -0.016,551 -0.072,552 -0.003,553 1.497,554 4.918,555 0.8,556 48.563,557 0.993,558 1.126,559 4.507,560 20.313,561 0.646,562 3.85,563 4.234,564 4.575,565 4.898,566 5.176,567 5.342,568 5.549,569 5.733,570 5.878,571 5.924,572 9.29,573 0.604,574 543.77,575 3.85,576 5.434,577 6.323,578 7.236,579 8.144,580 9.065,581 9.981,582 10.908,583 11.831,584 12.761,585 3.7,589 1,591 2,593 8,594 2,596 6,597 1,598 17,602 1,603 2,605 81,606 17,607 2,608 46,610 87,611 33,612 14,613 5,614 7,616 7,617 14,620 1,621 1,622 1,623 7,624 4,626 11,628 14,629 19,630 4,639 41,640 6,641 2,642 7,645 3,647 0.429,648 4,649 1,653 2,654 5,656 1,657 3,666 1,667 3,670 1,673 40,674 2,675 11,677 2,679 6,681 1,685 1,688 4.9,689 1,690 1,692 2,693 19.083,694 14.25,695 8.458,696 5.413,697 3.232,698 1.335,699 0.947,700 7.138,701 12.884,702 4.016,703 4.577,704 5.093,705 5.598,706 6.004,707 6.166,708 6.454,709 6.777,710 7.094,711 7.279,712 0.9,713 71,714 14.967,715 6.703,716 7.519,717 29.831,718 27.078,719 2.019,720 80.75,723 459.073,724 133.33,725 34.98,727 107.366,730 133.33,731 566.439,732 34.98,733 8.825,734 29.509,735 118.064,736 75.887,737 43.391,738 11.771,739 447.302,741 459.073,742 168.31,743 107.366,746 435.531,747 88.225,748 42.683,749 42.867,750 92.239,751 33.203,753 459.073,754 142.347,755 133.33,756 459.073,757 49.124,758 85.983,760 140.57,761 459.073,762 142.347,763 133.33,764 0.594,765 0.356,766 0.198,767 0.109,768 37,769 15,770 0.08,771 7,772 4,773 1.25,774 5.082,775 422.383,776 0.25,777 32,778 210.877,780 26.493,781 10.777,782 5.004,784 140.57,785 15.879,786 8.794,788 5.781,789 1.876,790 85.367,791 734.749,792 54.5,797 80.403,798 91.221,799 0.223,800 0.54,801 0.791,802 0.919,803 0.936,804 0.944,805 5.319,806 2.002,807 6.34,808 6.757,809 4.92,810 5.265,811 1.376,812 7.236,813 4.863,814 6.506,815 1.854,816 7.953,817 5.789,818 4.635,819 5.047,821 8.461,822 4.557,823 7.823,824 1.68,825 9.679,826 5.272,827 6.619,828 7.338,829 1.159,830 11.601,831 6.523,832 9.171,833 1.62,834 11.48,835 4.972,836 7.194,837 7.928,839 13.747,840 7.093,841 10.557,842 1.618,843 13.334,844 4.463,845 8.669,846 9.713,847 0.963,848 16.505,849 8.556,850 11.967,851 1.41,852 15.23,853 4.353,854 9.633,855 10.671,857 18.993,858 9.523,859 13.396,860 1.355,861 17.157,862 3.358,863 10.941,864 12.243,865 0.787,866 21.671,867 10.826,868 3.65,869 1.174,870 19.109,871 3.005,872 12.076,873 13.381,875 24.279,876 11.966,877 3.154,878 14.645,879 21.082,880 2.849,881 13.338,882 14.851,883 0.634,884 26.946,885 13.227,886 2.939,887 11.437,888 23.072,889 3.984,890 14.549,891 16.082,893 29.597,894 14.441,895 2.741,896 9.244,897 25.075,898 3.818,899 15.806,900 17.5,901 0.504,902 32.268,903 15.699,904 2.589,905 8.823,906 27.089,907 3.732,908 17.051,909 18.783,911 34.936,912 16.945,913 2.294,914 8.042,915 29.111,916 3.613,917 18.315,918 20.172,919 0.395,920 37.612,921 18.209,922 2.236,923 6.883,924 31.141,925 2.986,926 19.578,927 21.484,929 40.287,930 19.472,931 28231,932 41224,933 31.611,934 52.302,935 70.465,936 70.615,937 72.04,938 70.022,939 69.926,940 82.476,941 3.44,942 212.471,943 67.756,944 5.663,945 5.701,946 7.563,947 5.787,948 5.65,949 6.984,950 1.72,951 23.041,952 5.63,953 15.28,954 1.532,955 1.535,956 1.566,957 1.522,958 1.52,959 1.793,960 0.075,961 4.619,962 1.473,963 4.125,964 4.159,965 4.046,966 4.058,967 6.471,968 4.05,969 3.98,970 4.027,971 3.926,972 3.841,973 6.448,974 3.853,975 3.882,976 3.918,977 3.83,978 3.798,979 5.089,980 3.793,981 3.874,982 3.905,983 3.795,984 3.715,985 4.943,986 3.733,987 3.666,988 3.725,989 3.528,990 3.533,991 4.632,992 3.527,993 3.504,994 3.552,995 3.38,996 3.366,997 4.352,998 3.361,999 3.444,1000 3.504,1001 3.297,1002 3.3,1003 4.301,1004 3.289,1005 3.348,1006 3.418,1007 3.178,1008 3.178,1009 4.215,1010 3.173,1011 0.101,1012 0.08,1013 0.171,1014 0.101,1015 0.079,1016 4.663,1017 0.087,1018 3.701,1019 0.019,1020 7.876,1021 0.318,1022 4.645,1023 0.079,1024 3.65,1025 3.984,1026 0.86,1027 14.645,1028 3.63,1029 2.063,1030 2.036,1031 2.194,1032 2.144,1033 1.644,1034 2.163,1035 1.891,1036 1.874,1037 2.003,1038 2.036,1039 1.351,1040 2.022,1041 1.787,1042 1.756,1043 1.976,1044 1.903,1045 1.233,1046 1.929,1047 1.752,1048 1.698,1049 1.935,1050 1.894,1051 1.192,1052 1.909,1053 1.627,1054 1.573,1055 1.841,1056 1.822,1057 1.176,1058 1.821,1059 1.587,1060 1.529,1061 1.807,1062 1.769,1063 1.018,1064 1.792,1065 1.47,1066 1.413,1067 1.704,1068 1.641,1069 0.994,1070 1.664,1071 1.304,1072 1.243,1073 1.599,1074 1.501,1075 0.863,1076 1.531,1077 4.533,1078 5.9,1079 3.045,1080 7.467,1081 5.416,1082 9.134,1083 7.516,1084 10.858,1086 2.349,1089 21.141,1090 10.836,1092 11.927,1094 2.11,1096 0.057,1100 48.933,1101 114.648,1102 277.135,1103 406.309,1104 472.018,1105 480.773,1106 484.773,1107 74.993,1108 9.652,1109 89.63,1110 89.63,1111 40,1112 13.264,1113 4.17,1114 3.248,1115 52.727,1116 226,1117 234,1118 0.11,1119 288.513,1120 507.28,1121 695.731,1122 304619,1124 27.269,1125 0.682,1126 0.585,1127 27.269,1128 23.414,1129 19.475,1130 0.423,1131 0.332,1132 15.102,1133 18.866,1134 14.796,1135 12.096,1136 19.475,1137 15.251,1138 18.257,1139 0.268,1140 0.19,1141 18.257,1142 12.951,1143 16.264,1144 0.169,1145 0.111,1146 16.264,1147 10.637,1148 14.028,1149 0.105,1150 0.065,1151 14.028,1152 8.648,1153 11.735,1154 0.067,1155 0.039,1156 11.735,1157 6.801,1158 0.179,1159 121.252,1160 0.178,1161 36.38,1162 0.287,1163 228,1164 530.706,1165 245.536,1166 508.785,1167 710.72,1168 480,1169 278,1170 540.58,1171 297.285,1172 541.648,1173 798.69,1174 513,1175 7.385}
{0 CHEMBL2326069,1 1.273,2 17.409,3 8.388,4 70.352,5 172.463,6 6.531,7 0.25,8 4.579,9 4.693,10 4.021,11 4.135,12 5.569,13 4.081,14 5.191,15 5.365,16 4.404,17 4.591,18 6.127,19 4.502,20 5.557,21 5.772,22 4.548,23 4.821,24 6.433,25 4.705,26 5.704,27 5.932,28 4.55,29 4.893,30 6.672,31 4.749,32 5.742,33 6.004,34 4.506,35 4.896,36 6.546,37 4.734,38 5.735,39 5.992,40 4.464,41 4.841,42 6.611,43 4.684,44 5.668,45 5.932,46 4.299,47 4.748,48 6.534,49 4.578,50 5.504,51 5.774,52 4.135,53 4.627,54 6.352,55 4.436,56 0.081,57 1.176,58 21.574,59 10.08,60 16.629,61 13.136,62 0.433,63 2.045,64 40.78,65 17.654,66 58.242,67 23.69,68 0.462,69 2.806,70 59.469,71 24.248,72 71.991,73 32.996,74 1.05,75 3.158,76 69.905,77 27.34,78 158.485,79 37.572,80 0.527,81 3.281,82 71.672,83 28.681,84 100.779,85 40.188,86 0.667,87 3.177,88 72.092,89 27.545,90 113.962,91 38.271,92 0.779,93 2.926,94 67.862,95 25.372,96 120.236,97 35.277,98 0.399,99 2.574,100 56.259,101 22.614,102 88.559,103 31.97,104 64,105 68,106 0.189,107 0.499,108 0.739,109 0.852,110 0.863,111 0.863,112 3.81,113 1.041,114 -6.78,115 -6.59,116 -6.11,118 41.3,119 3,120 10,121 5,122 1,124 2,125 1,134 2,135 7,136 4,137 1,143 2,146 32,147 2,148 6,150 4,151 45,153 4,155 6,156 50,157 4,158 6,161 4,162 46,164 8,166 4,167 40,169 12,171 6,172 34,174 4,176 6,177 31,179 4,181 6,182 27,184 4,187 4,188 24,189 4206,190 29.755,191 29.755,192 29.755,193 29.755,194 29.755,195 27.721,196 25.603,197 17.623,198 30.214,199 23.585,200 23.585,201 23.585,202 23.585,203 23.585,204 20.383,205 16.027,206 8.175,207 24.106,208 5.25,209 3.167,210 1.554,211 0.794,212 0.72,213 0.72,214 4.51,219 1654,220 5.292,221 88.532,222 473.228,224 153.478,225 359.417,226 2.543,227 49.988,230 0.5,231 0.5,232 0.5,233 0.8,234 1,235 0.5,236 0.5,237 0.61,238 94,239 766,240 4.663,241 4.026,242 7.876,243 4.645,244 3.65,245 3.984,246 2.643,247 14.645,248 3.63,249 4.36,250 3.701,251 6.88,252 4.15,253 3.154,254 3.73,255 2.298,256 11.437,257 3.142,258 4.205,259 3.486,260 6.405,261 3.967,262 2.973,263 3.613,264 0.405,265 9.734,266 2.942,267 4.106,268 3.335,269 6.154,270 3.611,271 2.613,272 3.344,273 0.211,274 8.823,275 2.606,276 3.784,277 2.985,278 5.476,279 3.578,280 2.589,281 2.986,283 7.329,284 2.56,285 3.742,286 2.7,287 5.428,288 3.23,289 2.242,290 2.955,292 6.883,293 2.214,294 3.42,295 2.631,296 5.26,297 3.164,298 2.167,299 2.574,301 6.314,302 2.158,303 3.372,304 2.44,305 5.115,306 2.975,307 2.026,308 2.491,309 5.789,310 1.937,311 3.197,312 2.311,313 4.894,314 2.974,315 2.002,316 2.284,317 5.288,318 1.891,319 3.174,320 2.259,321 4.877,322 2.753,323 1.754,324 2.095,325 4.975,326 1.75,327 2.745,328 1.889,329 4.639,330 2.642,331 1.661,332 1.745,333 4.463,334 1.631,335 2.693,336 1.858,337 4.099,338 2.544,339 1.566,340 1.693,341 3.572,342 1.522,343 2.526,344 1.81,345 3.822,346 2.246,347 1.297,348 1.522,349 3.2,350 1.24,351 2.5,352 1.687,353 3.778,354 2.19,355 1.239,356 1.5,357 2.809,358 1.153,359 2.425,360 1.617,361 3.621,362 2.051,363 1.056,364 1.341,365 2.334,366 1.048,367 21,368 0.477,369 1.099,370 0.025,371 43.5,372 0.989,373 17.5,374 0.398,375 26,376 0.591,377 59.63,378 1.355,379 49.8,380 0.541,381 34.721,382 0.789,383 7.197,384 0.164,385 14.048,386 0.319,387 0.135,388 0.024,389 0.31,391 0.778,392 1.148,393 0.927,394 1.136,395 0.715,396 1.063,397 0.667,398 1.088,399 0.94,400 1.088,401 0.538,402 1.057,403 0.915,404 1.067,405 0.997,406 1.065,407 0.819,408 1.045,409 0.883,410 1.063,411 1.089,412 1.075,413 1.007,414 1.106,415 0.681,416 1.032,417 0.923,418 1.035,419 0.769,420 1.015,421 0.971,422 1.033,423 1.007,424 1.032,425 0.926,426 1.025,427 1.121,428 0.926,429 1.064,430 0.935,431 1.128,432 0.984,433 0.602,434 1.103,435 0.991,436 1.112,437 0.653,438 1.106,439 9,440 0.218,441 6,442 3.729,443 3.062,444 1.771,445 1.146,446 0.775,447 0.513,448 0.319,449 38661,450 88191,451 2.051,452 52.2,453 25,454 12,457 2,458 1,459 8,461 1.816,462 1.906,463 3.954,464 0.013,469 117.158,470 1.273,471 3.357,472 4.969,473 5.73,474 5.803,475 5.803,476 3.232,477 4.942,478 5.436,479 4.274,480 4043.19,481 9.585,482 82360.9,487 600.168,488 1.555,489 5.379,490 0.188,491 0.006,492 0.088,493 0.049,494 0.043,495 0.025,496 0.018,497 0.014,498 0.011,499 0.008,500 0.449,501 0.17,502 0.5,503 1.402,504 261.866,505 -0.031,506 0.044,507 0.037,508 0.047,509 -0.037,510 0.05,511 0.122,512 0.019,513 0.025,514 0.014,515 0.096,516 0.008,517 -0.048,518 -0.023,519 -0.023,520 -0.022,521 -0.018,522 -0.019,523 0.085,524 -0.046,525 -0.103,526 -0.061,527 0.054,528 -0.101,529 0.012,530 -0.039,531 0.027,532 -0.032,533 0.008,534 -0.005,535 -0.044,536 -0.052,537 -0.026,538 -0.049,539 -0.013,540 -0.037,541 -0.113,542 0.04,543 -0.074,544 0.032,545 -0.112,546 -0.009,547 0.009,548 -0.117,549 -0.053,550 -0.115,551 0.012,552 -0.096,553 2.3,554 5.307,555 0.523,556 59.736,557 0.991,558 1.122,559 5.55,560 30.802,561 0.641,562 3.892,563 4.234,564 4.543,565 4.828,566 5.1,567 5.263,568 5.447,569 5.628,570 5.74,571 5.753,572 10.731,573 0.597,574 600.86,575 3.892,576 5.451,577 6.319,578 7.217,579 8.113,580 9.025,581 9.934,582 10.855,583 11.774,584 12.702,593 7,596 5,598 12,602 1,605 92,606 15,607 2,608 48,610 96,611 38,612 12,613 5,614 7,616 5,617 11,620 3,621 1,622 1,623 6,624 4,626 11,627 2,628 14,629 22,630 5,631 2,633 2,635 2,639 48,640 6,641 2,642 6,647 0.4,648 6,649 1,653 1,654 4,656 1,657 2,658 2,660 2,666 1,667 2,670 3,673 44,674 2,675 12,677 2,679 6,681 1,682 1,686 2,688 6.5,689 1,690 1,691 2,692 2,693 23.083,694 16.9,695 9.819,696 6.388,697 3.313,698 1.364,699 0.906,700 10.759,701 12.41,702 4.078,703 4.575,704 5.053,705 5.516,706 5.98,707 6.203,708 6.503,709 6.822,710 7.11,711 7.192,712 0.909,713 76,714 16.52,715 7.184,716 7.703,717 32.288,718 28.014,719 2.203,720 96.917,723 541.471,724 188.526,727 157.656,730 188.526,731 699.127,733 26.476,734 34.53,735 109.017,736 107.356,737 34.742,738 34.061,739 541.471,741 541.471,742 188.526,743 157.656,746 447.302,747 209.142,748 42.683,749 61.006,750 93.459,751 34.061,753 541.471,754 157.656,755 188.526,756 541.471,757 61.655,758 92.809,759 34.061,760 157.656,761 541.471,762 157.656,763 188.526,764 0.578,765 0.345,766 0.189,767 0.105,768 31,769 15,770 0.125,771 12,772 3,773 1.261,774 5.253,775 446.211,776 0.261,777 23,778 226.215,780 32.584,781 14.528,782 7.213,784 157.656,785 13.671,788 4.875,790 85.367,791 887.653,792 58,794 24.614,796 -1.112,797 91.17,798 103.221,799 0.195,800 0.515,801 0.762,802 0.878,803 0.89,804 0.89,805 5.366,806 2.026,807 6.33,808 6.314,809 4.92,810 5.263,811 3.091,812 7.215,813 4.89,814 6.555,815 2.002,816 7.94,817 5.789,818 4.635,819 5.027,820 2.882,821 8.458,822 4.606,823 7.87,824 1.754,825 9.669,826 5.288,827 6.603,828 7.299,829 4.613,830 11.594,831 6.562,832 9.218,833 1.661,834 11.474,835 4.975,836 7.186,837 7.845,838 5.043,839 13.751,840 7.148,841 10.601,842 1.566,843 13.334,844 4.463,845 8.651,846 9.631,847 6.321,848 16.509,849 8.606,850 12.007,851 1.297,852 15.234,853 3.572,854 9.624,855 10.531,856 7.025,857 19,858 9.579,859 13.432,860 1.239,861 17.164,862 3.2,863 10.927,864 12.115,865 8.12,866 21.677,867 10.878,868 3.65,869 1.056,870 19.12,871 2.809,872 12.069,873 13.2,874 8.953,875 24.284,876 12.016,877 3.154,878 14.645,879 21.094,880 2.334,881 13.33,882 14.683,883 9.969,884 26.951,885 13.273,886 2.973,887 11.437,888 23.085,889 3.984,890 14.545,891 15.873,892 10.865,893 29.601,894 14.483,895 2.613,896 9.734,897 25.088,898 3.73,899 15.802,900 17.301,901 11.848,902 32.271,903 15.736,904 2.589,905 8.823,906 27.102,907 3.613,908 17.049,909 18.555,910 12.776,911 34.938,912 16.978,913 2.242,914 7.329,915 29.124,916 3.344,917 18.314,918 19.952,919 13.745,920 37.613,921 18.238,922 2.167,923 6.883,924 31.153,925 2.986,926 19.578,927 21.245,928 14.69,929 40.288,930 19.497,931 36806,932 55724,933 31.611,934 59.001,935 72.945,936 74.389,937 75.273,938 71.381,939 71.33,940 84.177,941 11.113,942 210.511,943 70.081,944 5.663,945 6.026,946 7.7,947 5.645,948 5.65,949 6.984,950 4.455,951 23.041,952 5.63,953 25.715,954 1.52,955 1.55,956 1.568,957 1.487,958 1.486,959 1.754,960 0.232,961 4.386,962 1.46,963 4.124,964 4.157,965 4.044,966 4.06,967 7.447,968 4.052,969 3.962,970 3.985,971 3.902,972 3.908,973 7.417,974 3.903,975 3.876,976 3.906,977 3.795,978 3.799,979 6.471,980 3.793,981 3.744,982 3.776,983 3.678,984 3.62,985 6.448,986 3.613,987 3.691,988 3.722,989 3.562,990 3.533,991 4.877,992 3.547,993 3.51,994 3.566,995 3.393,996 3.396,997 4.632,998 3.39,999 3.508,1000 3.555,1001 3.357,1002 3.296,1003 4.508,1004 3.28,1005 3.427,1006 3.494,1007 3.265,1008 3.275,1009 4.46,1010 3.274,1011 0.097,1012 0.084,1013 0.164,1014 0.097,1015 0.076,1016 4.663,1017 0.083,1018 4.026,1019 0.055,1020 7.876,1021 0.305,1022 4.645,1023 0.076,1024 3.65,1025 3.984,1026 2.643,1027 14.645,1028 3.63,1029 2.063,1030 2.036,1031 2.194,1032 2.144,1033 1.644,1034 2.163,1035 1.95,1036 1.928,1037 2.059,1038 2.026,1039 1.343,1040 2.037,1041 1.787,1042 1.756,1043 1.966,1044 1.9,1045 1.249,1046 1.92,1047 1.736,1048 1.688,1049 1.932,1050 1.884,1051 1.217,1052 1.902,1053 1.633,1054 1.61,1055 1.84,1056 1.835,1057 1.175,1058 1.828,1059 1.59,1060 1.539,1061 1.827,1062 1.766,1063 0.989,1064 1.792,1065 1.476,1066 1.41,1067 1.8,1068 1.738,1069 0.955,1070 1.756,1071 1.464,1072 1.409,1073 1.715,1074 1.632,1075 0.937,1076 1.665,1077 4.575,1078 5.911,1079 2.398,1080 7.452,1081 4.844,1082 9.1,1083 7.034,1084 10.812,1086 5.77,1089 21.126,1090 10.067,1092 10.165,1094 1.108,1096 0.035,1099 6.599,1100 54.932,1101 117.158,1102 308.818,1103 457.174,1104 527.148,1105 533.903,1106 533.903,1107 121.065,1108 9.097,1109 93.06,1110 93.06,1111 29,1112 13.208,1113 4,1114 3.459,1115 74.737,1116 295,1117 258,1118 0.122,1119 333.016,1120 608.7,1121 804.319,1122 153951,1124 31.269,1125 0.711,1126 0.603,1127 31.269,1128 26.518,1129 21.245,1130 0.443,1131 0.347,1132 16.529,1133 20.678,1134 16.08,1135 13.254,1136 21.245,1137 16.656,1138 19.018,1139 0.28,1140 0.195,1141 19.018,1142 13.281,1143 16.321,1144 0.175,1145 0.115,1146 16.321,1147 10.731,1148 13.576,1149 0.109,1150 0.069,1151 13.576,1152 8.524,1153 11,1154 0.067,1155 0.041,1156 11,1157 6.686,1158 0.201,1159 131.593,1160 0.178,1161 39.595,1162 0.309,1163 232,1164 585.242,1165 247.942,1166 557.715,1167 750.81,1168 522,1169 277,1170 532.485,1171 290.953,1172 537.803,1173 789.77,1174 509,1175 6.822}
{0 CHEMBL2326070,1 1.47,2 15.439,3 6.194,4 38.371,5 157.638,6 7.125,7 0.362,8 4.465,9 4.574,10 3.997,11 4.023,12 5.513,13 3.993,14 5.06,15 5.214,16 4.431,17 4.514,18 6.046,19 4.457,20 5.452,21 5.657,22 4.547,23 4.748,24 6.366,25 4.649,26 5.63,27 5.871,28 4.501,29 4.805,30 6.511,31 4.668,32 5.638,33 5.91,34 4.42,35 4.755,36 6.44,37 4.603,38 5.529,39 5.793,40 4.32,41 4.663,42 6.384,43 4.509,44 5.484,45 5.755,46 4.2,47 4.565,48 6.325,49 4.408,50 5.346,51 5.609,52 4.109,53 4.427,54 6.233,55 4.282,56 0.11,57 1.103,58 17.287,59 8.08,60 19.239,61 10.222,62 0.205,63 1.925,64 32.667,65 14.537,66 40.004,67 19.287,68 0.409,69 2.653,70 51.528,71 20.955,72 69.613,73 28.548,74 0.736,75 3.034,76 64.342,77 24.417,78 111.6,79 34.155,80 0.67,81 3.006,82 66.397,83 24.479,84 102.887,85 35.121,86 0.546,87 2.729,88 58.81,89 22.023,90 100.023,91 31.569,92 0.658,93 2.533,94 57.49,95 20.498,96 99.854,97 29.223,98 0.551,99 2.225,100 49.778,101 17.495,102 90.302,103 24.919,104 26,105 71,106 0.224,107 0.564,108 0.77,109 0.894,110 0.909,111 0.913,112 3.741,113 0.956,114 -5.92,115 -5.77,116 -5.38,118 42.3,119 1,120 9,121 4,122 1,125 1,129 1,132 1,135 6,136 3,137 3,139 1,140 1,143 1,145 2,146 24,147 2,148 4,150 6,151 35,152 2,153 8,155 7,156 39,157 2,158 9,159 1,161 5,162 33,163 2,164 8,166 5,167 29,169 9,170 1,171 6,172 23,174 8,175 1,176 6,177 17,179 9,180 1,181 6,182 10,184 13,185 1,187 4,188 6,189 3335,190 27.736,191 27.736,192 27.736,193 27.736,194 27.736,195 25.378,196 27.162,197 15.745,198 28.04,199 23.185,200 23.185,201 23.185,202 23.185,203 23.185,204 19.492,205 21.76,206 7.478,207 23.719,208 4.815,209 2.585,210 1.235,211 0.42,212 0.317,213 0.292,214 4.464,219 1438,220 3.808,221 169.406,222 469.101,224 123.419,225 467.414,226 2.239,227 46.429,230 0.5,231 0.5,232 0.83,233 0.9,234 0.5,235 0.83,236 1,237 0.72,238 88.5,239 633,240 4.663,241 3.748,242 7.876,243 4.645,244 3.65,245 4.101,246 1.674,247 14.645,248 3.63,249 4.486,250 3.701,251 6.88,252 4.15,253 3.154,254 3.984,256 11.437,257 3.142,258 4.36,259 3.335,260 6.544,261 4.09,262 3.126,263 3.803,265 10.348,266 3.004,267 4.17,268 2.971,269 6.154,270 3.749,271 2.786,272 3.613,274 8.896,275 2.68,276 3.81,277 2.895,278 6.092,279 3.578,280 2.59,281 3.22,283 8.823,284 2.56,285 3.783,286 2.7,287 5.442,288 3.409,289 2.431,290 2.986,292 7.127,293 2.369,294 3.422,295 2.446,296 5.427,297 3.226,298 2.239,299 2.702,301 6.882,302 2.209,303 3.411,304 2.414,305 5.26,306 3.027,307 2.072,308 2.574,309 5.792,310 1.972,311 3.222,312 2.367,313 4.955,314 2.973,315 2.001,316 2.366,317 5.785,318 1.935,319 3.178,320 2.261,321 4.881,322 2.842,323 1.875,324 2.283,325 5.376,326 1.797,327 2.908,328 1.891,329 4.877,330 2.68,331 1.689,332 2.024,333 4.974,334 1.67,335 2.731,336 1.776,337 4.639,338 2.602,339 1.635,340 1.759,341 4.463,342 1.573,343 2.693,344 1.694,345 4.45,346 2.499,347 1.526,348 1.696,349 4.293,350 1.476,351 2.53,352 1.447,353 4.095,354 2.327,355 1.34,356 1.526,357 3.354,358 1.317,359 2.498,360 1.24,361 3.715,362 2.17,363 1.174,364 1.431,365 2.867,366 1.168,367 19.367,368 0.472,369 1.219,370 0.03,371 46.25,372 1.128,373 20.5,374 0.5,375 25.75,376 0.628,377 50.555,378 1.233,379 44.833,380 0.575,381 35.288,382 0.861,383 7.722,384 0.188,385 12.075,386 0.295,387 0.095,388 0.026,389 0.382,391 0.796,392 1.026,393 0.829,394 1.012,395 0.793,396 0.944,397 0.573,398 1.165,399 0.837,400 1.121,401 0.484,402 1.038,403 0.731,404 1.105,405 0.971,406 1.129,407 0.692,408 1.097,409 0.748,410 1.051,411 1.016,412 1.084,413 0.737,414 1.094,415 0.651,416 0.94,417 0.887,418 0.958,419 0.63,420 0.96,421 0.604,422 1.033,423 0.936,424 1.053,425 0.609,426 1.046,427 0.854,428 0.935,429 0.979,430 0.953,431 0.912,432 0.982,433 0.902,434 1.019,435 1.006,436 1.011,437 0.908,438 1.023,439 9.5,440 0.246,441 6,442 3.764,443 3.387,444 1.789,445 1.159,446 0.676,447 0.488,448 0.338,449 32365,450 76796,451 2.168,452 47.4,453 21,454 8,455 1,457 3,458 2,459 2,461 1.802,462 2.025,463 3.816,464 0.692,469 114.682,470 1.47,471 3.7,472 5.05,473 5.865,474 5.968,475 5.994,476 3.192,477 5.211,478 5.334,479 4.074,480 3340.84,481 9.398,482 60172.9,487 490.261,488 1.537,489 5.285,490 0.202,491 0.006,492 0.085,493 0.05,494 0.049,495 0.028,496 0.02,497 0.014,498 0.011,499 0.008,500 0.472,501 0.17,502 0.63,503 0.501,504 234.843,505 -0.006,506 0.151,507 0.047,508 0.099,509 -0.047,510 0.078,511 0.098,512 -0.053,513 0.051,514 -0.035,515 0.116,516 -0.007,517 0.021,518 -0.076,519 -0.039,520 -0.089,521 0.028,522 -0.077,523 0.04,524 -0.073,525 -0.056,526 -0.079,527 0.03,528 -0.084,529 0.05,530 0.009,531 0.083,532 0.029,533 0.053,534 0.055,535 0.06,536 -0.07,537 0.023,538 -0.058,539 0.082,540 -0.028,541 -0.027,542 0.005,543 0.009,544 0.022,545 -0.055,546 0.02,547 -0.028,548 -0.061,549 -0.015,550 -0.042,551 -0.041,552 -0.03,553 2.2,554 5.567,555 0.78,556 46.594,557 1,558 1.123,559 4.689,560 21.987,561 0.657,562 3.871,563 4.277,564 4.625,565 4.956,566 5.252,567 5.438,568 5.628,569 5.817,570 5.943,571 5.981,572 9.144,573 0.623,574 555.73,575 3.871,576 5.468,577 6.365,578 7.288,579 8.204,580 9.133,581 10.057,582 10.989,583 11.918,584 12.853,585 3.8,589 1,591 2,593 7,594 2,596 7,597 1,598 17,602 2,605 78,606 19,607 2,608 47,610 84,611 33,612 14,613 6,614 6,615 3,616 7,617 14,620 1,621 1,622 1,623 6,624 4,626 10,628 17,629 16,630 4,631 2,633 1,634 1,635 2,639 37,640 7,641 3,642 8,645 3,647 0.429,648 5,649 1,653 2,654 5,656 1,657 3,660 1,662 2,666 1,667 3,670 1,673 41,674 3,675 9,677 1,679 5,681 1,685 1,688 6.4,689 1,690 2,691 1,692 1,693 20.25,694 13.867,695 8.597,696 5.156,697 3.788,698 1.387,699 0.942,700 6.804,701 13.567,702 4.069,703 4.666,704 5.222,705 5.765,706 6.25,707 6.555,708 6.869,709 7.268,710 7.57,711 7.74,712 0.9,713 76,714 15.336,715 6.983,716 7.717,717 29.907,718 27.135,719 2.217,720 90.917,723 400.217,724 134.522,725 34.98,727 164.195,730 134.522,731 564.412,732 34.98,733 8.825,734 22.811,735 118.064,736 153.663,737 30.333,738 11.771,739 388.446,741 400.217,742 169.502,743 164.195,746 376.675,747 145.054,748 42.683,749 36.169,750 87.896,751 45.436,753 400.217,754 199.175,755 134.522,756 400.217,757 50.316,758 85.983,760 197.398,761 400.217,762 199.175,763 134.522,764 0.602,765 0.362,766 0.2,767 0.114,768 39,769 17,770 0.071,771 6,772 4,773 1.25,774 5.035,775 444.102,776 0.25,777 32,778 215.66,780 26.883,781 10.377,782 4.723,784 197.398,785 12.43,786 8.503,788 4.956,789 1.469,790 128.05,791 733.914,792 57.5,794 12.567,795 1.7,796 -0.245,797 77.963,798 87.6,799 0.234,800 0.589,801 0.804,802 0.933,803 0.95,804 0.954,805 5.381,806 2.072,807 6.399,808 6.882,809 4.963,810 5.354,811 1.888,812 7.313,813 4.92,814 6.596,815 2.001,816 8.026,817 5.792,818 4.745,819 5.231,821 8.549,822 4.679,823 7.93,824 1.875,825 9.763,826 5.785,827 6.683,828 7.485,829 2.817,830 11.689,831 6.61,832 9.296,833 1.689,834 11.571,835 5.376,836 7.294,837 8.144,839 13.818,840 7.207,841 10.695,842 1.635,843 13.427,844 4.974,845 8.747,846 9.907,847 3.808,848 16.571,849 8.655,850 12.116,851 1.526,852 15.321,853 4.463,854 9.725,855 10.918,857 19.042,858 9.626,859 13.555,860 1.34,861 17.245,862 4.293,863 11.023,864 12.482,865 4.825,866 21.712,867 10.919,868 3.65,869 1.174,870 19.192,871 3.354,872 12.16,873 13.668,875 24.308,876 12.054,877 3.154,878 14.645,879 21.158,880 2.867,881 13.416,882 15.14,883 5.851,884 26.97,885 13.307,886 3.126,887 11.437,888 23.141,889 4.101,890 14.624,891 16.416,893 29.614,894 14.513,895 2.786,896 10.348,897 25.136,898 3.984,899 15.875,900 17.844,901 6.88,902 32.281,903 15.763,904 2.59,905 8.896,906 27.143,907 3.803,908 17.115,909 19.168,911 34.945,912 17.002,913 2.431,914 8.823,915 29.159,916 3.613,917 18.374,918 20.575,919 7.91,920 37.618,921 18.258,922 2.239,923 7.127,924 31.183,925 3.22,926 19.631,927 21.926,929 40.292,930 19.514,931 29096,932 45241,933 31.728,934 51.233,935 73.187,936 73.772,937 75.211,938 72.199,939 72.077,940 87.088,941 3.349,942 223.824,943 70.414,944 5.663,945 5.748,946 7.555,947 5.738,948 5.65,949 7.101,950 3.349,951 23.041,952 5.63,953 20.26,954 1.557,955 1.57,956 1.6,957 1.536,958 1.534,959 1.853,960 0.071,961 4.762,962 1.498,963 4.128,964 4.161,965 4.054,966 4.059,967 7.433,968 4.052,969 4.023,970 4.056,971 3.987,972 3.908,973 6.474,974 3.921,975 3.876,976 3.908,977 3.804,978 3.799,979 6.468,980 3.793,981 3.851,982 3.892,983 3.795,984 3.697,985 6.448,986 3.712,987 3.659,988 3.716,989 3.532,990 3.526,991 5.093,992 3.524,993 3.484,994 3.527,995 3.401,996 3.352,997 4.747,998 3.353,999 3.426,1000 3.477,1001 3.295,1002 3.289,1003 4.631,1004 3.279,1005 3.321,1006 3.367,1007 3.169,1008 3.148,1009 4.301,1010 3.148,1011 0.099,1012 0.08,1013 0.168,1014 0.099,1015 0.078,1016 4.663,1017 0.087,1018 3.748,1019 0.036,1020 7.876,1021 0.312,1022 4.645,1023 0.077,1024 3.65,1025 4.101,1026 1.674,1027 14.645,1028 3.63,1029 2.063,1030 2.036,1031 2.194,1032 2.144,1033 1.644,1034 2.163,1035 1.935,1036 1.923,1037 2.01,1038 2.05,1039 1.351,1040 2.033,1041 1.787,1042 1.756,1043 1.974,1044 1.902,1045 1.23,1046 1.927,1047 1.748,1048 1.695,1049 1.935,1050 1.891,1051 1.177,1052 1.908,1053 1.608,1054 1.56,1055 1.84,1056 1.776,1057 1.119,1058 1.797,1059 1.543,1060 1.5,1061 1.723,1062 1.742,1063 1.009,1064 1.721,1065 1.448,1066 1.399,1067 1.606,1068 1.635,1069 0.864,1070 1.643,1071 1.303,1072 1.241,1073 1.597,1074 1.493,1075 0.752,1076 1.531,1077 4.554,1078 5.938,1079 3.045,1080 7.518,1081 5.416,1082 9.198,1083 7.526,1084 10.934,1086 2.318,1089 30.791,1090 9.08,1092 5.387,1094 1.945,1096 0.016,1100 48.594,1101 114.682,1102 288.624,1103 393.939,1104 457.506,1105 465.506,1106 467.506,1107 86.708,1108 9.78,1109 121.61,1110 121.61,1111 40,1112 13.353,1113 4.322,1114 3.524,1115 54.602,1116 231,1117 239,1118 0.113,1119 286.654,1120 510.79,1121 691.196,1122 343696,1124 28.302,1125 0.69,1126 0.57,1127 28.302,1128 23.369,1129 19.797,1130 0.421,1131 0.319,1132 14.844,1133 19.182,1134 14.544,1135 11.908,1136 19.797,1137 14.983,1138 18.983,1139 0.267,1140 0.181,1141 18.983,1142 12.817,1143 16.869,1144 0.167,1145 0.105,1146 16.869,1147 10.582,1148 14.534,1149 0.103,1150 0.06,1151 14.534,1152 8.523,1153 12.288,1154 0.065,1155 0.035,1156 12.288,1157 6.731,1158 0.183,1159 123.389,1160 0.178,1161 36.852,1162 0.297,1163 236,1164 594.855,1165 254.755,1166 574.815,1167 793.1,1168 536,1169 290,1170 601.406,1171 309.287,1172 604.691,1173 892.43,1174 571,1175 6.951}
{0 CHEMBL2326071,1 1.203,2 16.436,3 8.503,4 72.296,5 161.912,6 6.114,7 0.273,8 4.511,9 4.64,10 3.915,11 4.099,12 5.384,13 4.024,14 5.145,15 5.337,16 4.304,17 4.585,18 5.912,19 4.474,20 5.541,21 5.78,22 4.421,23 4.826,24 6.268,25 4.669,26 5.693,27 5.966,28 4.337,29 4.867,30 6.359,31 4.672,32 5.674,33 5.964,34 4.286,35 4.827,36 6.292,37 4.623,38 5.599,39 5.878,40 4.223,41 4.76,42 6.278,43 4.558,44 5.545,45 5.835,46 4.097,47 4.644,48 6.271,49 4.436,50 5.361,51 5.646,52 3.936,53 4.46,54 6.132,55 4.259,56 0.108,57 1.146,58 21.262,59 9.405,60 13.441,61 13.035,62 0.216,63 2.071,64 39.507,65 16.861,66 24.344,67 23.829,68 0.341,69 2.886,70 57.833,71 24.42,72 43.296,73 34.526,74 0.437,75 3.218,76 66.546,77 27.693,78 53.527,79 39.326,80 0.382,81 3.121,82 64.563,83 27.383,84 45.25,85 38.969,86 0.347,87 2.903,88 60.178,89 25.626,90 44.825,91 36.267,92 0.398,93 2.672,94 57.152,95 23.533,96 57.114,97 33.242,98 0.343,99 2.219,100 47.691,101 19.47,102 52.888,103 27.441,104 10,105 63,106 0.181,107 0.469,108 0.716,109 0.854,110 0.873,111 0.873,112 3.693,113 1.078,114 -7.32,115 -7.11,116 -6.57,118 41.9,119 1,120 12,121 4,122 1,124 3,125 1,134 2,135 7,136 4,137 1,146 32,148 3,150 4,151 43,153 3,155 6,156 46,158 2,161 4,162 43,164 1,166 4,167 41,169 1,171 6,172 36,174 1,176 6,177 29,179 1,181 6,182 23,184 1,187 4,188 23,189 3318,190 26.755,191 26.755,192 26.755,193 26.755,194 26.755,195 24.981,196 24.765,197 15.801,198 26.933,199 21.742,200 21.742,201 21.742,202 21.742,203 21.742,204 19.075,205 21.282,206 7.552,207 22.061,208 5.223,209 3.319,210 1.679,211 0.762,212 0.637,213 0.637,214 4.411,219 1441,220 3.937,221 71.905,222 521.105,224 123.73,225 288.348,226 2.46,227 25.995,230 0.5,231 0.5,232 0.67,233 0.8,234 1,235 0.67,236 1,237 0.73,238 80.5,239 641,240 4.663,241 3.701,242 7.876,243 4.645,244 3.65,245 3.984,246 0.916,247 14.645,248 3.63,249 4.36,250 3.335,251 6.88,252 4.15,253 3.154,254 3.725,255 0.172,256 11.437,257 3.142,258 4.167,259 3.049,260 6.154,261 3.705,262 2.726,263 3.613,265 8.823,266 2.679,267 3.829,268 2.898,269 5.616,270 3.578,271 2.589,272 3.028,274 7.788,275 2.56,276 3.784,277 2.7,278 5.428,279 3.435,280 2.474,281 2.985,283 6.949,284 2.372,285 3.444,286 2.456,287 5.331,288 3.229,289 2.241,290 2.574,292 6.883,293 2.213,294 3.419,295 2.419,296 5.26,297 3.081,298 2.093,299 2.429,301 5.868,302 2.061,303 3.182,304 2.271,305 4.954,306 2.974,307 2.002,308 2.284,309 5.789,310 1.937,311 3.138,312 2.25,313 4.877,314 2.752,315 1.753,316 2.071,317 4.975,318 1.75,319 2.745,320 1.889,321 4.639,322 2.642,323 1.661,324 1.744,325 4.463,326 1.631,327 2.693,328 1.686,329 4.099,330 2.545,331 1.567,332 1.693,333 3.57,334 1.523,335 2.526,336 1.495,337 3.793,338 2.398,339 1.42,340 1.522,341 3.199,342 1.386,343 2.5,344 1.366,345 3.627,346 2.237,347 1.242,348 1.5,349 3.038,350 1.235,351 2.446,352 1.156,353 3.588,354 2.052,355 1.054,356 1.442,357 2.348,358 1.051,359 2.414,360 1.077,361 3.414,362 2,363 1,364 1.296,365 2.275,366 1,367 19.067,368 0.489,369 0.921,370 0.024,371 37.75,372 0.968,373 14.5,374 0.372,375 23.25,376 0.596,377 52.81,378 1.354,379 43.333,380 0.504,381 24.42,382 0.626,383 5.648,384 0.145,385 13.361,386 0.343,387 0.061,388 0.026,389 0.283,391 0.971,392 1.153,393 1.015,394 1.082,395 0.941,396 1.056,397 0.842,398 1.109,399 1.052,400 1.087,401 0.62,402 1.078,403 0.888,404 1.116,405 1.068,406 1.114,407 0.81,408 1.103,409 0.971,410 1.027,411 1.061,412 1.043,413 0.96,414 1.057,415 0.685,416 0.939,417 0.929,418 0.961,419 0.723,420 0.962,421 0.734,422 1.055,423 1.002,424 1.077,425 0.83,426 1.062,427 1.079,428 0.97,429 0.986,430 0.987,431 1.215,432 0.985,433 1.186,434 0.992,435 1.006,436 1.006,437 1.372,438 0.999,439 7.5,440 0.173,441 4.667,442 2.917,443 2.493,444 1.278,445 1.022,446 0.588,447 0.385,448 0.233,449 29915,450 51169,451 2.164,452 54.7,453 25,454 14,457 2,459 6,461 1.788,462 2.062,463 3.869,464 -0.016,469 103.476,470 1.203,471 3.107,472 4.748,473 5.665,474 5.79,475 5.79,476 3.236,477 5.08,478 5.255,479 4.167,480 3087.63,481 9.23,482 55990.5,487 552.659,488 1.366,489 5.229,490 0.17,491 0.005,492 0.074,493 0.044,494 0.042,495 0.022,496 0.02,497 0.013,498 0.01,499 0.007,500 0.407,501 0.5,502 0.63,503 0.42,504 223.072,505 -0.037,506 0.04,507 0.054,508 0.078,509 -0.035,510 0.071,511 -0.037,512 0.023,513 -0.022,514 -0.002,515 0.043,516 -0.008,517 -0.027,518 -0.074,519 -0.068,520 -0.08,521 0.02,522 -0.077,523 -0.066,524 -0.038,525 -0.079,526 -0.049,527 -0.06,528 -0.063,529 0.006,530 0.027,531 0.029,532 0.027,533 -0.024,534 0.029,535 0.015,536 -0.084,537 -0.037,538 -0.078,539 -0.025,540 -0.063,541 -0.022,542 -0.024,543 -0.008,544 -0.015,545 -0.058,546 -0.011,547 -0.025,548 -0.043,549 -0.018,550 -0.033,551 -0.068,552 -0.027,553 1.473,554 4.898,555 0.744,556 50.446,557 0.978,558 1.122,559 6.094,560 37.142,561 0.644,562 3.807,563 4.159,564 4.477,565 4.779,566 5.075,567 5.226,568 5.429,569 5.609,570 5.727,571 5.753,572 9.698,573 0.588,574 525.84,575 3.807,576 5.371,577 6.244,578 7.144,579 8.042,580 8.955,581 9.867,582 10.79,583 11.711,584 12.641,585 1.2,586 1,593 7,596 5,598 12,602 1,605 86,606 13,607 2,608 44,610 91,611 36,612 12,613 5,614 7,616 6,617 12,620 1,621 1,622 1,623 9,624 4,626 13,627 2,628 12,629 22,630 4,639 47,640 3,641 2,642 3,645 1,647 0.5,648 2,649 1,653 1,654 5,656 1,657 2,658 2,664 1,666 1,667 3,670 1,673 39,674 2,675 15,679 5,680 1,681 1,682 1,686 2,688 2.3,689 1,690 1,693 18.917,694 15.1,695 8.431,696 6.021,697 3.215,698 1.354,699 0.941,700 8.177,701 12.309,702 3.97,703 4.477,704 4.973,705 5.454,706 5.943,707 6.156,708 6.462,709 6.751,710 6.995,711 7.14,712 1,713 67,714 14.628,715 6.405,716 7.391,717 29.79,718 26.923,719 1.891,720 73.75,723 529.7,724 158.694,725 3.124,727 85.367,730 158.694,731 615.066,732 3.124,733 8.825,734 36.731,735 109.017,736 42.683,737 15.867,738 34.061,739 529.7,741 529.7,742 161.818,743 85.367,746 459.073,747 113.31,748 42.683,749 48.681,750 79.076,751 34.061,753 529.7,754 88.491,755 158.694,756 529.7,757 49.474,758 78.283,759 34.061,760 85.367,761 529.7,762 88.491,763 158.694,764 0.585,765 0.345,766 0.188,767 0.108,768 32,769 13,770 0.066,771 6,772 3,773 1.207,774 5.051,775 390.739,776 0.207,777 29,778 196.131,780 27.073,781 11.78,782 5.718,784 88.491,785 15.002,788 5.775,790 85.367,791 776.884,792 52,797 84.079,798 96.467,799 0.187,800 0.483,801 0.739,802 0.881,803 0.901,804 0.901,805 5.268,806 2.002,807 6.248,808 5.868,809 4.844,810 5.165,811 0.918,812 7.127,813 4.818,814 6.447,815 1.753,816 7.849,817 5.789,818 4.511,819 4.856,820 0.325,821 8.366,822 4.466,823 7.757,824 1.661,825 9.57,826 4.975,827 6.521,828 7.195,829 0.671,830 11.509,831 6.477,832 9.099,833 1.567,834 11.373,835 4.463,836 7.074,837 7.693,838 0.393,839 13.687,840 7.022,841 10.48,842 1.42,843 13.233,844 3.57,845 8.566,846 9.532,847 0.533,848 16.454,849 8.513,850 11.885,851 1.242,852 15.137,853 3.199,854 9.529,855 10.408,856 0.384,857 18.962,858 9.473,859 13.311,860 1.054,861 17.075,862 3.038,863 10.849,864 12.027,865 0.438,866 21.648,867 10.791,868 3.65,869 1,870 19.038,871 2.348,872 11.992,873 13.102,874 0.351,875 24.264,876 11.933,877 3.154,878 14.645,879 21.021,880 2.275,881 13.265,882 14.608,883 0.366,884 26.936,885 13.203,886 2.726,887 11.437,888 23.02,889 3.984,890 14.485,891 15.797,892 0.312,893 29.591,894 14.42,895 2.589,896 8.823,897 25.032,898 3.725,899 15.751,900 17.239,901 0.309,902 32.264,903 15.683,904 2.474,905 7.788,906 27.053,907 3.613,908 17.005,909 18.495,910 0.273,911 34.934,912 16.932,913 2.241,914 6.949,915 29.083,916 3.028,917 18.276,918 19.902,919 0.262,920 37.61,921 18.199,922 2.093,923 6.883,924 31.118,925 2.985,926 19.545,927 21.199,928 0.236,929 40.286,930 19.464,931 27213,932 35687,933 30.107,934 55.427,935 67.23,936 66.918,937 67.884,938 65.935,939 65.833,940 76.574,941 2.178,942 194.597,943 64.863,944 5.663,945 5.701,946 7.7,947 5.68,948 5.65,949 6.984,950 1.605,951 23.041,952 5.63,953 15.081,954 1.528,955 1.521,956 1.543,957 1.499,958 1.496,959 1.74,960 0.049,961 4.423,962 1.474,963 4.124,964 4.157,965 4.043,966 4.059,967 6.471,968 4.051,969 3.963,970 4.001,971 3.895,972 3.902,973 6.448,974 3.896,975 3.876,976 3.907,977 3.795,978 3.799,979 4.878,980 3.793,981 3.802,982 3.859,983 3.675,984 3.669,985 4.632,986 3.661,987 3.703,988 3.759,989 3.564,990 3.601,991 4.501,992 3.585,993 3.508,994 3.553,995 3.395,996 3.409,997 4.307,998 3.399,999 3.423,1000 3.49,1001 3.266,1002 3.299,1003 4.275,1004 3.282,1005 3.278,1006 3.345,1007 3.127,1008 3.157,1009 4.053,1010 3.142,1011 0.106,1012 0.084,1013 0.179,1014 0.106,1015 0.083,1016 4.663,1017 0.091,1018 3.701,1019 0.021,1020 7.876,1021 0.333,1022 4.645,1023 0.083,1024 3.65,1025 3.984,1026 0.916,1027 14.645,1028 3.63,1029 2.063,1030 2.036,1031 2.194,1032 2.144,1033 1.644,1034 2.163,1035 1.948,1036 1.921,1037 2.084,1038 2.055,1039 1.412,1040 2.068,1041 1.803,1042 1.756,1043 2.007,1044 1.946,1045 1.343,1046 1.969,1047 1.787,1048 1.742,1049 1.958,1050 1.899,1051 1.22,1052 1.917,1053 1.723,1054 1.67,1055 1.929,1056 1.863,1057 1.176,1058 1.892,1059 1.597,1060 1.544,1061 1.839,1062 1.767,1063 1.146,1064 1.793,1065 1.466,1066 1.415,1067 1.697,1068 1.613,1069 0.983,1070 1.644,1071 1.306,1072 1.247,1073 1.598,1074 1.493,1075 0.857,1076 1.531,1077 4.489,1078 5.832,1079 2.398,1080 7.382,1081 4.844,1082 9.037,1083 7.034,1084 10.753,1086 2.366,1089 21.1,1090 17.644,1094 2.364,1095 2.572,1096 0.086,1099 6.841,1100 50.567,1101 103.476,1102 267.205,1103 408.304,1104 487.149,1105 497.904,1106 497.904,1107 74.755,1108 9.094,1109 43.7,1110 43.7,1111 35,1112 13.145,1113 3.807,1114 3.17,1115 55.713,1116 226,1117 257,1118 0.115,1119 303.102,1120 542.86,1121 731.329,1122 155981,1124 26.821,1125 0.688,1126 0.612,1127 26.821,1128 23.876,1129 19.009,1130 0.432,1131 0.359,1132 15.747,1133 18.769,1134 15.35,1135 12.642,1136 19.009,1137 15.811,1138 17.327,1139 0.275,1140 0.212,1141 17.327,1142 13.357,1143 15.157,1144 0.174,1145 0.126,1146 15.157,1147 11.003,1148 12.721,1149 0.108,1150 0.075,1151 12.721,1152 8.885,1153 10.828,1154 0.068,1155 0.045,1156 10.828,1157 7.09,1158 0.189,1159 115.821,1160 0.182,1161 36.01,1162 0.293,1163 214,1164 391.944,1165 220.289,1166 394.281,1167 552.15,1168 372,1169 257,1170 408.416,1171 263.651,1172 423.198,1173 621.77,1174 401,1175 6.247}
{0 CHEMBL2326072,1 1.233,2 14.919,3 8.388,4 70.36,5 150.662,6 6.497,7 0.405,8 4.4,9 4.521,10 3.861,11 4.011,12 5.35,13 3.948,14 5.002,15 5.174,16 4.258,17 4.492,18 5.846,19 4.395,20 5.391,21 5.616,22 4.357,23 4.717,24 6.178,25 4.576,26 5.546,27 5.798,28 4.298,29 4.78,30 6.277,31 4.603,32 5.58,33 5.862,34 4.217,35 4.751,36 6.231,37 4.551,38 5.5,39 5.782,40 4.122,41 4.648,42 6.186,43 4.447,44 5.409,45 5.695,46 4.014,47 4.517,48 6.169,49 4.322,50 5.243,51 5.521,52 3.875,53 4.356,54 6.052,55 4.169,56 0.092,57 0.99,58 17.868,59 8.021,60 14.641,61 10.917,62 0.162,63 1.775,64 32.937,65 14.525,66 24.197,67 20.129,68 0.296,69 2.504,70 49.4,71 21.119,72 43.958,73 29.422,74 0.38,75 2.843,76 57.986,77 24.663,78 55.717,79 34.426,80 0.349,81 2.905,82 59.921,83 25.703,84 51.705,85 36.287,86 0.329,87 2.667,88 55.461,89 23.557,90 45.318,91 33.194,92 0.375,93 2.392,94 51.184,95 21.031,96 57.887,97 29.401,98 0.336,99 2.035,100 43.437,101 17.546,102 54.288,103 24.489,104 10,105 61,106 0.189,107 0.516,108 0.742,109 0.873,110 0.881,111 0.881,112 3.642,113 1.018,114 -7.08,115 -6.88,116 -6.36,118 44.7,119 1,120 9,121 4,122 1,125 1,134 2,135 9,136 3,137 2,140 2,146 29,148 4,150 4,151 40,153 2,155 6,156 45,158 1,161 4,162 44,164 1,166 4,167 39,169 1,171 6,172 31,174 1,176 6,177 26,179 1,181 6,182 21,184 1,187 4,188 21,189 2919,190 25.393,191 25.393,192 25.393,193 25.393,194 25.393,195 23.061,196 20.862,197 14.843,198 25.573,199 20.73,200 20.73,201 20.73,202 20.73,203 20.73,204 17.28,205 13.053,206 7.042,207 21.059,208 5.015,209 2.884,210 1.412,211 0.563,212 0.51,213 0.51,214 4.36,218 1,219 1248,220 3.808,221 174.369,222 350.432,224 113.154,225 263.554,226 2.101,227 24.189,230 0.75,231 0.5,232 0.83,233 0.7,234 0.5,235 0.83,236 1,237 0.73,238 76.5,239 552,240 4.663,241 3.701,242 7.876,243 4.645,244 3.65,245 3.984,247 14.645,248 3.63,249 4.36,250 3.335,251 6.88,252 4.15,253 3.154,254 3.923,256 11.437,257 3.142,258 4.276,259 3.049,260 6.154,261 3.83,262 2.877,263 3.613,265 9.062,266 2.748,267 4.037,268 2.849,269 6.146,270 3.578,271 2.589,272 3.456,274 8.823,275 2.56,276 3.784,277 2.7,278 5.428,279 3.429,280 2.445,281 2.986,283 6.921,284 2.397,285 3.5,286 2.443,287 5.328,288 3.228,289 2.241,290 2.708,292 6.883,293 2.212,294 3.419,295 2.336,296 5.26,297 2.975,298 2.003,299 2.574,301 5.789,302 1.938,303 3.18,304 2.26,305 4.877,306 2.824,307 1.834,308 2.284,309 4.975,310 1.814,311 3.098,312 1.889,313 4.639,314 2.723,315 1.728,316 2.081,317 4.559,318 1.718,319 2.745,320 1.84,321 4.463,322 2.638,323 1.658,324 1.746,325 4.463,326 1.625,327 2.693,328 1.684,329 4.099,330 2.54,331 1.561,332 1.694,333 3.562,334 1.519,335 2.526,336 1.367,337 3.791,338 2.24,339 1.245,340 1.522,341 3.193,342 1.238,343 2.5,344 1.16,345 3.623,346 2.071,347 1.076,348 1.5,349 2.389,350 1.07,351 2.432,352 1,353 3.414,354 2,355 1,356 1.367,357 2.275,358 1,359 2.333,360 0.996,361 3.391,362 1.85,363 0.876,364 1.198,365 2.048,366 0.852,367 18.067,368 0.488,369 0.904,370 0.024,371 40.75,372 1.101,373 18.5,374 0.5,375 22.25,376 0.601,377 45.323,378 1.225,379 39.533,380 0.52,381 27.073,382 0.732,383 6.637,384 0.179,385 11.388,386 0.308,387 0.065,388 0.028,389 0.299,391 0.96,392 1.076,393 0.941,394 0.998,395 0.94,396 0.974,397 0.743,398 1.121,399 0.987,400 1.078,401 0.62,402 1.052,403 0.899,404 1.071,405 1.05,406 1.083,407 0.827,408 1.077,409 0.962,410 1.039,411 1.089,412 1.072,413 0.981,414 1.089,415 0.644,416 0.967,417 0.95,418 0.997,419 0.702,420 0.999,421 0.715,422 1.005,423 0.962,424 1.031,425 0.77,426 1.02,427 1.101,428 0.925,429 0.96,430 0.946,431 1.194,432 0.947,433 1.253,434 0.964,435 1.018,436 0.982,437 1.35,438 0.985,439 7,440 0.172,441 5.111,442 2.757,443 2.312,444 1.438,445 0.968,446 0.517,447 0.38,448 0.232,449 25308,450 49657,451 2.173,452 51.3,453 23,454 10,455 2,457 2,459 2,461 1.776,462 2.065,463 3.746,464 0.001,469 93.738,470 1.233,471 3.364,472 4.836,473 5.685,474 5.738,475 5.738,476 3.105,477 4.844,478 5.179,479 4.044,480 2693.25,481 9.086,482 46038.8,487 474.842,488 1.401,489 5.151,490 0.167,491 0.006,492 0.084,493 0.043,494 0.04,495 0.027,496 0.021,497 0.012,498 0.011,499 0.007,500 0.417,501 0.5,502 0.63,503 0.435,504 206.915,505 -0.048,506 0.043,507 0.05,508 0.083,509 -0.049,510 0.073,511 -0.008,512 -0.041,513 -0.011,514 -0.029,515 0.049,516 -0.022,517 -0.038,518 -0.053,519 -0.071,520 -0.07,521 0.015,522 -0.072,523 -0.079,524 -0.06,525 -0.113,526 -0.073,527 -0.07,528 -0.093,529 0.012,530 -0.016,531 0.008,532 -0.007,533 -0.016,534 -0.001,535 0.029,536 -0.057,537 0.002,538 -0.046,539 0.006,540 -0.027,541 -0.021,542 0.012,543 0.028,544 0.026,545 -0.043,546 0.03,547 -0.047,548 -0.013,549 -0.019,550 -0.014,551 -0.077,552 -0.014,553 1.479,554 4.873,555 0.757,556 44.964,557 0.981,558 1.116,559 5.849,560 34.213,561 0.663,562 3.761,563 4.127,564 4.466,565 4.771,566 5.037,567 5.226,568 5.421,569 5.587,570 5.707,571 5.72,572 8.97,573 0.611,574 493.74,575 3.761,576 5.333,577 6.217,578 7.124,579 8.03,580 8.948,581 9.866,582 10.793,583 11.719,584 12.651,585 1.3,589 1,593 11,596 5,597 1,598 17,602 1,605 76,606 18,607 2,608 42,610 81,611 34,612 16,613 5,614 7,616 6,617 12,620 1,621 1,622 1,623 6,624 4,626 10,627 2,628 16,629 16,630 4,639 39,640 2,641 2,642 3,645 1,647 0.5,648 2,649 1,651 1,653 2,654 4,656 1,657 2,658 2,666 1,667 3,670 1,673 37,674 2,675 9,679 5,681 1,682 1,686 2,688 2.6,689 1,690 1,693 17.917,694 13.433,695 7.958,696 5.112,697 3.88,698 1.433,699 0.952,700 6.845,701 12.845,702 3.98,703 4.535,704 5.087,705 5.607,706 6.041,707 6.335,708 6.702,709 7.007,710 7.29,711 7.432,712 1,713 64,714 13.816,715 6.086,716 7.466,717 27.72,718 24.94,719 1.966,720 72.75,723 435.531,724 181.392,725 1.899,727 85.367,730 181.392,731 520.897,732 1.899,733 8.825,734 22.811,735 146.064,736 42.683,737 14.213,738 57.603,739 411.989,741 435.531,742 183.291,743 85.367,746 411.989,747 66.226,748 42.683,749 33.535,750 115.695,751 34.061,753 435.531,754 87.266,755 181.392,756 435.531,757 35.124,758 114.105,759 34.061,760 85.367,761 435.531,762 87.266,763 181.392,764 0.589,765 0.353,766 0.193,767 0.105,768 32,769 13,770 0.062,771 5,772 3,773 1.214,774 4.851,775 370.383,776 0.214,777 28,778 179.995,780 24.686,781 10.259,782 4.723,784 85.367,785 22.714,788 5.45,789 2.105,790 85.367,791 704.188,792 52.5,797 74.545,798 84.806,799 0.197,800 0.538,801 0.774,802 0.91,803 0.918,804 0.918,805 5.269,806 1.834,807 6.229,808 5.789,809 4.812,810 5.223,812 7.125,813 4.783,814 6.471,815 1.728,816 7.843,817 4.975,818 4.511,819 4.913,821 8.39,822 4.459,823 7.792,824 1.658,825 9.577,826 4.559,827 6.509,828 7.32,830 11.534,831 6.458,832 9.147,833 1.561,834 11.389,835 4.463,836 7.099,837 7.84,839 13.714,840 7.034,841 10.538,842 1.245,843 13.258,844 3.562,845 8.576,846 9.701,848 16.476,849 8.511,850 11.952,851 1.076,852 15.166,853 3.193,854 9.559,855 10.607,857 18.979,858 9.487,859 13.385,860 1,861 17.105,862 2.389,863 10.87,864 12.228,866 21.66,867 10.798,868 3.65,869 0.876,870 19.068,871 2.275,872 12.02,873 13.334,875 24.273,876 11.945,877 3.154,878 14.645,879 21.05,880 2.048,881 13.288,882 14.835,884 26.942,885 13.211,886 2.877,887 11.437,888 23.047,889 3.984,890 14.508,891 16.051,893 29.595,894 14.429,895 2.589,896 9.062,897 25.055,898 3.923,899 15.771,900 17.489,902 32.267,903 15.69,904 2.445,905 8.823,906 27.074,907 3.613,908 17.023,909 18.767,911 34.935,912 16.939,913 2.241,914 6.921,915 29.1,916 3.456,917 18.291,918 20.172,920 37.611,921 18.204,922 2.003,923 6.883,924 31.132,925 2.986,926 19.558,927 21.486,929 40.287,930 19.469,931 22909,932 32205,933 28.72,934 50.381,935 65.135,936 64.25,937 65.182,938 63.466,939 63.4,940 77.637,942 190.306,943 62.396,944 5.663,945 5.701,946 7.7,947 5.668,948 5.65,949 6.984,951 23.041,952 5.63,953 14.47,954 1.551,955 1.53,956 1.552,957 1.511,958 1.51,959 1.849,961 4.531,962 1.486,963 4.125,964 4.159,965 4.047,966 4.06,967 6.471,968 4.052,969 4.024,970 4.064,971 3.971,972 3.932,973 6.448,974 3.936,975 3.876,976 3.907,977 3.795,978 3.799,979 4.933,980 3.793,981 3.783,982 3.823,983 3.711,984 3.697,985 4.755,986 3.697,987 3.684,988 3.735,989 3.551,990 3.585,991 4.631,992 3.57,993 3.496,994 3.544,995 3.377,996 3.391,997 4.414,998 3.381,999 3.416,1000 3.484,1001 3.253,1002 3.293,1003 4.299,1004 3.274,1005 3.214,1006 3.282,1007 3.066,1008 3.101,1009 4.051,1010 3.085,1011 0.111,1012 0.088,1013 0.188,1014 0.111,1015 0.087,1016 4.663,1017 0.095,1018 3.701,1020 7.876,1021 0.349,1022 4.645,1023 0.086,1024 3.65,1025 3.984,1027 14.645,1028 3.63,1029 2.063,1030 2.036,1031 2.194,1032 2.144,1033 1.644,1034 2.163,1035 1.935,1036 1.909,1037 2.033,1038 2.023,1039 1.343,1040 2.026,1041 1.787,1042 1.756,1043 1.961,1044 1.9,1045 1.22,1046 1.919,1047 1.729,1048 1.676,1049 1.93,1050 1.872,1051 1.175,1052 1.898,1053 1.598,1054 1.547,1055 1.839,1056 1.768,1057 1.108,1058 1.793,1059 1.483,1060 1.438,1061 1.697,1062 1.642,1063 0.981,1064 1.658,1065 1.48,1066 1.432,1067 1.67,1068 1.593,1069 0.857,1070 1.622,1071 1.364,1072 1.303,1073 1.598,1074 1.554,1075 0.694,1076 1.562,1077 4.443,1078 5.796,1079 3.045,1080 7.353,1081 5.352,1082 9.015,1083 7.424,1084 10.74,1086 2.357,1089 21.05,1090 9.928,1094 2.323,1096 0.08,1099 6.744,1100 46.46,1101 93.738,1102 255.642,1103 367.5,1104 432.088,1105 436.088,1106 436.088,1107 66.915,1108 8.964,1109 45.39,1110 45.39,1111 34,1112 13.153,1113 4.248,1114 3.524,1115 51.467,1116 195,1117 217,1118 0.122,1119 278.063,1120 492.08,1121 670.233,1122 128504,1124 25.407,1125 0.687,1126 0.593,1127 25.407,1128 21.943,1129 18.026,1130 0.429,1131 0.339,1132 14.192,1133 17.787,1134 13.835,1135 11.396,1136 18.026,1137 14.249,1138 16.525,1139 0.271,1140 0.196,1141 16.525,1142 11.96,1143 14.757,1144 0.172,1145 0.116,1146 14.757,1147 9.964,1148 12.448,1149 0.106,1150 0.069,1151 12.448,1152 8.039,1153 10.086,1154 0.066,1155 0.041,1156 10.086,1157 6.249,1158 0.198,1159 109.885,1160 0.187,1161 34.305,1162 0.315,1163 206,1164 403.944,1165 212.622,1166 407.577,1167 574.29,1168 384,1169 250,1170 432.824,1171 256.818,1172 446.697,1173 655.63,1174 424,1175 7.719}
{0 CHEMBL2326073,1 1.15,2 14.083,3 8.42,4 70.901,5 147.679,6 6.469,7 0.415,8 4.37,9 4.487,10 3.827,11 4.007,12 5.312,13 3.937,14 4.976,15 5.144,16 4.232,17 4.492,18 5.814,19 4.39,20 5.379,21 5.599,22 4.363,23 4.729,24 6.17,25 4.588,26 5.54,27 5.792,28 4.269,29 4.772,30 6.262,31 4.589,32 5.553,33 5.839,34 4.177,35 4.718,36 6.196,37 4.516,38 5.461,39 5.741,40 4.096,41 4.618,42 6.151,43 4.419,44 5.388,45 5.67,46 3.994,47 4.506,48 6.144,49 4.311,50 5.25,51 5.527,52 3.855,53 4.366,54 6.041,55 4.171,56 0.086,57 0.917,58 17.304,59 8.015,60 13.763,61 10.83,62 0.142,63 1.67,64 31.952,65 14.681,66 22.594,67 20.158,68 0.266,69 2.442,70 48.581,71 21.464,72 42.381,73 29.657,74 0.362,75 2.824,76 57.531,77 24.852,78 54.214,79 34.531,80 0.337,81 2.85,82 58.293,83 25.209,84 49.683,85 35.463,86 0.314,87 2.591,88 53.227,89 22.862,90 43.518,91 32.04,92 0.359,93 2.376,94 49.992,95 20.841,96 55.293,97 28.938,98 0.318,99 2.065,100 43.571,101 18.095,102 52.181,103 25.057,104 10,105 60,106 0.177,107 0.501,108 0.727,109 0.88,110 0.898,111 0.906,112 3.616,113 1.025,114 -7.65,115 -7.42,116 -6.84,118 45.9,119 1,120 9,121 4,122 1,125 1,134 2,135 10,136 5,137 1,146 35,150 4,151 50,155 6,156 55,161 4,162 48,166 4,167 41,171 6,172 34,176 6,177 29,181 6,182 24,187 4,188 24,189 2672,190 24.686,191 24.686,192 24.686,193 24.686,194 24.686,195 22.369,196 14.538,197 14.397,198 24.756,199 20.247,200 20.247,201 20.247,202 20.247,203 20.247,204 16.787,205 8.053,206 6.842,207 20.389,208 5.059,209 2.96,210 1.497,211 0.507,212 0.389,213 0.335,214 4.336,218 1,219 1149,220 3.808,221 60.726,222 402.608,224 103.706,225 400.102,226 1.856,227 24.637,230 0.75,231 0.5,232 0.83,233 0.7,234 0.5,235 0.83,236 1,237 0.73,238 74,239 507,240 4.663,241 3.701,242 7.876,243 4.645,244 3.65,245 4.346,247 14.645,248 3.63,249 4.423,250 3.335,251 6.88,252 4.15,253 3.154,254 3.984,256 11.437,257 3.142,258 4.36,259 3.06,260 6.183,261 3.923,262 2.923,263 3.613,265 9.226,266 2.923,267 3.986,268 2.702,269 6.154,270 3.578,271 2.589,272 3.307,274 8.823,275 2.56,276 3.784,277 2.685,278 5.428,279 3.304,280 2.304,281 2.986,283 6.883,284 2.304,285 3.421,286 2.44,287 5.26,288 3.228,289 2.24,290 2.574,292 6.678,293 2.212,294 3.287,295 2.297,296 5.257,297 2.975,298 2.003,299 2.427,301 5.789,302 1.938,303 3.179,304 2.257,305 4.877,306 2.757,307 1.758,308 2.289,309 4.975,310 1.755,311 3.118,312 1.889,313 4.639,314 2.644,315 1.662,316 2.259,317 4.463,318 1.633,319 2.873,320 1.686,321 4.415,322 2.618,323 1.618,324 1.981,325 4.371,326 1.618,327 2.743,328 1.618,329 4.099,330 2.548,331 1.571,332 1.742,333 3.572,334 1.526,335 2.693,336 1.441,337 3.796,338 2.412,339 1.413,340 1.693,341 3.205,342 1.411,343 2.526,344 1.36,345 3.638,346 2.236,347 1.24,348 1.522,349 3.005,350 1.233,351 2.424,352 1.152,353 3.603,354 2.05,355 1.052,356 1.315,357 2.343,358 1.05,359 2.17,360 0.812,361 3.384,362 1.739,363 0.746,364 1,365 1.82,366 0.74,367 17.667,368 0.491,369 0.904,370 0.025,371 39.5,372 1.097,373 18.5,374 0.514,375 21,376 0.583,377 44.546,378 1.237,379 38.133,380 0.515,381 25.804,382 0.717,383 6.314,384 0.175,385 11.212,386 0.311,387 0.066,388 0.028,389 0.311,391 0.943,392 0.955,393 0.948,394 0.955,395 0.943,396 0.952,397 0.661,398 1.06,399 0.979,400 1.059,401 0.611,402 1.042,403 0.856,404 1.082,405 1.039,406 1.082,407 0.816,408 1.073,409 0.993,410 1.071,411 1.104,412 1.077,413 0.97,414 1.095,415 0.693,416 0.956,417 0.942,418 0.96,419 0.694,420 0.966,421 0.783,422 1.013,423 0.972,424 1.013,425 0.787,426 1.006,427 1.204,428 0.958,429 0.998,430 0.958,431 1.208,432 0.964,433 1.278,434 1.003,435 1.037,436 1.001,437 1.305,438 1.004,439 7,440 0.173,441 4.889,442 2.917,443 2.555,444 1.292,445 0.922,446 0.52,447 0.381,448 0.213,449 22788,450 43688,451 2.178,452 51.4,453 23,454 11,457 2,459 2,461 1.771,462 2.067,463 3.678,464 -0.017,469 85.105,470 1.15,471 3.249,472 4.712,473 5.703,474 5.821,475 5.875,476 2.968,477 5.003,478 5.142,479 3.937,480 2480.36,481 9.018,482 40941.3,487 459.5,488 1.419,489 5.11,490 0.171,491 0.006,492 0.081,493 0.045,494 0.046,495 0.025,496 0.02,497 0.013,498 0.011,499 0.007,500 0.424,501 0.5,502 0.63,503 0.442,504 198.396,505 -0.067,506 0.122,507 0.044,508 0.116,509 -0.056,510 0.091,511 -0.001,512 -0.014,513 -0.007,514 -0.013,515 0.049,516 -0.011,517 -0.02,518 -0.072,519 -0.06,520 -0.071,521 0.016,522 -0.068,523 -0.08,524 -0.084,525 -0.124,526 -0.089,527 -0.072,528 -0.107,529 0.008,530 0.015,531 0.024,532 0.017,533 -0.007,534 0.021,535 0.022,536 -0.041,538 -0.037,539 0.002,540 -0.022,541 -0.038,542 0.008,543 -0.002,544 0.007,545 -0.063,546 0.005,547 -0.043,548 -0.037,549 -0.037,550 -0.036,551 -0.078,552 -0.036,553 1.476,554 4.869,555 0.75,556 41.191,557 0.979,558 1.112,559 6.417,560 41.177,561 0.667,562 3.738,563 4.111,564 4.454,565 4.771,566 5.075,567 5.236,568 5.429,569 5.602,570 5.724,571 5.717,572 8.439,573 0.614,574 478.72,575 3.738,576 5.313,577 6.201,578 7.112,579 8.022,580 8.944,581 9.865,582 10.795,583 11.723,584 12.657,592 2,593 10,596 4,598 17,602 1,605 74,606 18,607 3,608 41,610 79,611 34,612 16,613 6,614 10,616 6,617 13,620 1,621 1,622 1,623 6,624 4,626 10,627 2,628 16,629 16,630 4,639 38,640 2,641 2,642 2,647 0.333,648 2,649 1,653 1,654 5,656 1,657 3,658 2,666 1,667 2,670 1,673 36,674 2,675 9,679 5,681 1,682 1,686 2,688 2.7,689 1,690 1,693 17.417,694 13.15,695 7.708,696 5.047,697 4.327,698 1.479,699 0.955,700 6.406,701 13.355,702 3.961,703 4.543,704 5.121,705 5.673,706 6.234,707 6.519,708 6.894,709 7.239,710 7.555,711 7.506,712 0.889,713 65,714 13.46,715 5.966,716 7.456,717 27.08,718 24.587,719 1.956,720 70.417,723 423.76,724 175.162,727 85.367,730 175.162,731 509.126,733 8.825,734 22.811,735 137.446,736 42.683,737 14.703,738 34.061,739 423.76,741 423.76,742 175.162,743 85.367,746 400.217,747 66.226,748 42.683,749 31.636,750 109.465,751 34.061,753 423.76,754 85.367,755 175.162,756 423.76,757 37.513,758 103.588,759 34.061,760 85.367,761 423.76,762 85.367,763 175.162,764 0.59,765 0.355,766 0.196,767 0.112,768 32,769 13,770 0.051,771 4,772 4,773 1.296,774 4.722,775 362.041,776 0.296,777 27,778 184.117,780 23.78,781 9.697,782 4.415,783 2.51,784 85.367,785 21.003,788 4.326,790 85.367,791 684.289,792 51.5,797 72.443,798 82.308,799 0.185,800 0.523,801 0.759,802 0.918,803 0.937,804 0.946,805 5.254,806 1.758,807 6.217,808 5.789,809 4.796,810 5.231,812 7.12,813 4.782,814 6.465,815 1.662,816 7.835,817 4.975,818 4.511,819 5.007,821 8.39,822 4.484,823 7.794,824 1.618,825 9.572,826 4.463,827 6.5,828 7.393,830 11.537,831 6.479,832 9.158,833 1.571,834 11.387,835 4.371,836 7.091,837 7.991,839 13.715,840 7.06,841 10.556,842 1.413,843 13.257,844 3.572,845 8.573,846 9.867,848 16.48,849 8.545,850 11.978,851 1.24,852 15.166,853 3.205,854 9.557,855 10.865,857 18.981,858 9.521,859 13.418,860 1.052,861 17.106,862 3.005,863 10.872,864 12.516,866 21.662,867 10.835,868 3.65,869 0.746,870 19.07,871 2.343,872 12.023,873 13.722,875 24.274,876 11.979,877 3.154,878 14.645,879 21.052,880 1.82,881 13.293,882 15.265,884 26.944,885 13.246,886 2.923,887 11.437,888 23.048,889 4.346,890 14.514,891 16.584,893 29.596,894 14.46,895 2.589,896 9.226,897 25.057,898 3.984,899 15.777,900 18.074,902 32.267,903 15.719,904 2.304,905 8.823,906 27.075,907 3.613,908 17.029,909 19.454,911 34.936,912 16.964,913 2.24,914 6.883,915 29.101,916 3.307,917 18.297,918 20.921,920 37.611,921 18.227,922 2.003,923 6.678,924 31.134,925 2.986,926 19.563,927 22.333,929 40.287,930 19.488,931 20599,932 28616,933 28.027,934 49.376,935 63.395,936 63.044,937 64.252,938 62.077,939 62.018,940 76.563,942 187.526,943 61.518,944 5.663,945 5.701,946 7.699,947 5.645,948 5.65,949 7.346,951 23.041,952 5.63,953 14.143,954 1.546,955 1.538,956 1.567,957 1.514,958 1.513,959 1.867,961 4.574,962 1.5,963 4.131,964 4.162,965 4.061,966 4.077,967 6.471,968 4.07,969 4.069,970 4.09,971 4.014,972 4.028,973 6.448,974 4.021,975 3.876,976 3.907,977 3.795,978 3.799,979 4.955,980 3.793,981 3.726,982 3.778,983 3.605,984 3.637,985 4.666,986 3.623,987 3.562,988 3.598,989 3.468,990 3.488,991 4.631,992 3.478,993 3.458,994 3.512,995 3.324,996 3.342,997 4.301,998 3.33,999 3.39,1000 3.454,1001 3.226,1002 3.273,1003 4.205,1004 3.253,1005 3.194,1006 3.269,1007 3.035,1008 3.073,1009 4.042,1010 3.056,1011 0.114,1012 0.09,1013 0.192,1014 0.113,1015 0.089,1016 4.663,1017 0.106,1018 3.701,1020 7.876,1021 0.357,1022 4.645,1023 0.089,1024 3.65,1025 4.346,1027 14.645,1028 3.63,1029 2.077,1030 2.059,1031 2.194,1032 2.145,1033 1.644,1034 2.163,1035 2.063,1036 2.035,1037 2.158,1038 2.124,1039 1.344,1040 2.137,1041 1.787,1042 1.756,1043 1.972,1044 1.9,1045 1.28,1046 1.921,1047 1.745,1048 1.696,1049 1.934,1050 1.878,1051 1.218,1052 1.903,1053 1.609,1054 1.565,1055 1.84,1056 1.77,1057 1.175,1058 1.795,1059 1.541,1060 1.495,1061 1.726,1062 1.656,1063 0.984,1064 1.682,1065 1.405,1066 1.351,1067 1.633,1068 1.552,1069 0.858,1070 1.583,1071 1.3,1072 1.237,1073 1.598,1074 1.49,1075 0.717,1076 1.529,1077 4.419,1078 5.778,1079 2.398,1080 7.348,1081 4.844,1082 9.025,1083 7.034,1084 10.762,1086 2.358,1089 21.043,1090 9.964,1094 2.339,1096 0.083,1099 6.791,1100 45.439,1101 85.105,1102 240.443,1103 348.713,1104 421.99,1105 430.745,1106 434.745,1107 65.201,1108 9.028,1109 40.46,1110 40.46,1111 35,1112 13.158,1113 4.248,1114 3.524,1115 49.34,1116 178,1117 200,1118 0.128,1119 271.268,1120 481.08,1121 653.654,1122 139311,1124 24.7,1125 0.686,1126 0.595,1127 24.7,1128 21.419,1129 17.526,1130 0.427,1131 0.342,1132 13.97,1133 17.389,1134 13.603,1135 11.197,1136 17.526,1137 14.003,1138 16.184,1139 0.27,1140 0.198,1141 16.184,1142 11.885,1143 14.448,1144 0.17,1145 0.117,1146 14.448,1147 9.944,1148 12.303,1149 0.105,1150 0.069,1151 12.303,1152 8.083,1153 10.547,1154 0.066,1155 0.041,1156 10.547,1157 6.446,1158 0.206,1159 106.31,1160 0.189,1161 33.32,1162 0.336,1163 202,1164 382.299,1165 206.207,1166 388.572,1167 547.84,1168 366,1169 246,1170 410.303,1171 249.987,1172 426.421,1173 627.28,1174 405,1175 6.918}
{0 CHEMBL2326074,1 1.291,2 14.919,3 7.776,4 60.463,5 147.684,6 6.699,7 0.405,8 4.384,9 4.496,10 3.869,11 3.988,12 5.374,13 3.933,14 4.98,15 5.145,16 4.263,17 4.466,18 5.853,19 4.378,20 5.364,21 5.582,22 4.358,23 4.691,24 6.173,25 4.558,26 5.528,27 5.775,28 4.306,29 4.753,30 6.283,31 4.584,32 5.564,33 5.845,34 4.221,35 4.721,36 6.233,37 4.529,38 5.476,39 5.755,40 4.123,41 4.623,42 6.179,43 4.429,44 5.394,45 5.677,46 4.017,47 4.5,48 6.168,49 4.309,50 5.233,51 5.509,52 3.878,53 4.343,54 6.049,55 4.158,56 0.134,57 0.958,58 17.069,59 7.877,60 16.834,61 10.421,62 0.138,63 1.708,64 31.535,65 14.295,66 25.069,67 19.338,68 0.291,69 2.402,70 47.822,71 20.677,72 47.073,73 28.33,74 0.405,75 2.771,76 57.279,77 24.05,78 61.913,79 33.312,80 0.405,81 2.853,82 59.87,83 24.785,84 58.927,85 35.063,86 0.344,87 2.606,88 54.75,89 22.748,90 49.339,91 32.151,92 0.392,93 2.348,94 51.05,95 20.646,96 63.083,97 28.917,98 0.337,99 1.997,100 43.406,101 17.488,102 57.051,103 24.378,104 10,105 61,106 0.199,107 0.534,108 0.756,109 0.885,110 0.894,111 0.894,112 3.642,113 1.002,114 -6.9,115 -6.71,116 -6.21,118 44.6,119 1,120 9,121 4,122 1,125 1,134 2,135 8,136 4,137 1,138 1,141 1,145 1,146 30,148 3,150 4,151 43,153 3,155 6,156 48,158 4,161 4,162 43,164 3,166 4,167 37,169 2,171 6,172 31,174 2,176 6,177 26,179 2,181 6,182 21,184 2,187 4,188 21,189 2919,190 25.393,191 25.393,192 25.393,193 25.393,194 25.393,195 23.061,196 14.538,197 14.843,198 25.5,199 20.73,200 20.73,201 20.73,202 20.73,203 20.73,204 17.28,205 8.053,206 7.042,207 20.92,208 4.919,209 2.745,210 1.308,211 0.47,212 0.416,213 0.416,214 4.36,218 1,219 1248,220 3.808,221 174.369,222 350.432,224 113.154,225 263.554,226 2.101,227 27.73,230 0.75,231 0.5,232 0.83,233 0.7,234 0.5,235 0.83,236 1,237 0.73,238 77.5,239 552,240 4.663,241 3.701,242 7.876,243 4.645,244 3.65,245 3.984,247 14.645,248 3.63,249 4.36,250 3.335,251 6.88,252 4.15,253 3.154,254 3.923,256 11.437,257 3.142,258 4.276,259 3.001,260 6.154,261 3.876,262 2.877,263 3.613,265 9.062,266 2.874,267 4.037,268 2.774,269 6.146,270 3.578,271 2.589,272 3.456,274 8.823,275 2.56,276 3.784,277 2.7,278 5.428,279 3.443,280 2.445,281 2.986,283 6.921,284 2.441,285 3.5,286 2.443,287 5.328,288 3.228,289 2.241,290 2.708,292 6.883,293 2.212,294 3.419,295 2.334,296 5.26,297 2.975,298 2.003,299 2.574,301 5.789,302 1.938,303 3.18,304 2.26,305 4.877,306 2.825,307 1.834,308 2.284,309 4.975,310 1.817,311 3.098,312 1.889,313 4.639,314 2.722,315 1.728,316 2.081,317 4.559,318 1.716,319 2.745,320 1.833,321 4.463,322 2.638,323 1.658,324 1.746,325 4.463,326 1.625,327 2.693,328 1.684,329 4.099,330 2.54,331 1.561,332 1.694,333 3.562,334 1.519,335 2.526,336 1.366,337 3.791,338 2.24,339 1.245,340 1.522,341 3.193,342 1.237,343 2.5,344 1.157,345 3.623,346 2.069,347 1.076,348 1.5,349 2.389,350 1.068,351 2.432,352 1,353 3.414,354 2,355 1,356 1.367,357 2.275,358 1,359 2.333,360 0.97,361 3.391,362 1.848,363 0.876,364 1.198,365 2.048,366 0.85,367 17.9,368 0.484,369 0.904,370 0.024,371 40.75,372 1.101,373 18.5,374 0.5,375 22.25,376 0.601,377 45.213,378 1.222,379 39.7,380 0.536,381 27.183,382 0.735,383 6.687,384 0.181,385 11.339,386 0.306,387 0.065,388 0.028,389 0.307,391 0.797,392 0.986,393 0.897,394 0.981,395 0.879,396 0.957,397 0.672,398 1.098,399 0.938,400 1.092,401 0.606,402 1.049,403 0.798,404 1.065,405 1.021,406 1.094,407 0.799,408 1.083,409 0.851,410 1.067,411 1.074,412 1.092,413 0.926,414 1.107,415 0.626,416 0.954,417 0.938,418 0.976,419 0.68,420 0.987,421 0.596,422 1.004,423 0.949,424 1.035,425 0.722,426 1.029,427 0.854,428 0.932,429 0.937,430 0.957,431 1.078,432 0.959,433 0.93,434 0.98,435 0.977,436 1.003,437 1.21,438 0.999,439 7,440 0.172,441 5.111,442 2.757,443 2.312,444 1.438,445 0.968,446 0.517,447 0.38,448 0.232,449 25308,450 54533,451 2.173,452 50,453 23,454 9,456 1,457 2,459 2,461 1.776,462 2.065,463 3.746,464 0.028,469 95.53,470 1.291,471 3.464,472 4.901,473 5.74,474 5.794,475 5.794,476 3.105,477 4.844,478 5.179,479 4.044,480 2693.25,481 9.086,482 46038.8,487 459.5,488 1.401,489 5.151,490 0.167,491 0.006,492 0.084,493 0.043,494 0.04,495 0.027,496 0.021,497 0.012,498 0.011,499 0.007,500 0.417,501 0.17,502 0.63,503 0.435,504 206.915,505 0.063,506 0.125,507 0.052,508 0.106,509 -0.005,510 0.079,511 0.005,512 -0.034,513 0.002,514 -0.033,515 0.063,516 -0.018,517 -0.03,518 -0.062,519 -0.065,520 -0.07,521 0.019,522 -0.07,523 -0.056,524 -0.093,525 -0.109,526 -0.09,527 -0.053,528 -0.104,529 0.006,530 0.003,531 0.019,532 0.01,533 -0.006,534 0.015,535 0.03,536 -0.049,537 0.007,538 -0.048,539 0.017,540 -0.026,541 -0.003,542 0.004,543 0.041,544 0.02,545 -0.02,546 0.032,547 -0.012,548 -0.04,549 0.006,550 -0.026,551 -0.055,552 -0.011,553 1.486,554 4.866,555 0.757,556 44.964,557 0.986,558 1.116,559 5.67,560 32.15,561 0.663,562 3.761,563 4.127,564 4.466,565 4.771,566 5.037,567 5.226,568 5.421,569 5.587,570 5.707,571 5.72,572 8.97,573 0.617,574 495.71,575 3.761,576 5.333,577 6.217,578 7.124,579 8.03,580 8.948,581 9.866,582 10.793,583 11.719,584 12.651,585 1.4,591 1,593 9,594 1,595 1,596 6,598 17,602 1,605 74,606 18,607 2,608 42,610 79,611 33,612 15,613 5,614 7,616 6,617 12,620 1,621 1,622 1,623 6,624 4,626 10,627 2,628 15,629 16,630 4,639 37,640 4,641 2,642 4,644 1,645 1,647 0.5,648 3,649 1,653 2,654 4,656 1,657 2,658 2,666 1,667 3,670 1,673 37,674 2,675 9,679 5,681 1,682 1,686 2,688 4.1,689 1,690 1,692 1,693 17.917,694 13.183,695 7.958,696 4.994,697 3.88,698 1.433,699 0.944,700 6.802,701 12.845,702 3.98,703 4.535,704 5.087,705 5.607,706 6.041,707 6.335,708 6.702,709 7.007,710 7.29,711 7.432,712 1,713 64,714 13.794,715 6.088,716 7.525,717 27.485,718 24.671,719 2.025,720 74.917,723 411.989,724 168.746,725 19.597,727 95.101,730 168.746,731 507.089,732 19.597,733 8.825,734 22.811,735 118.493,736 74.051,737 31.524,738 39.51,739 400.217,741 411.989,742 188.342,743 95.101,746 388.446,747 75.96,748 42.683,749 40.683,750 94.001,751 53.658,753 411.989,754 114.697,755 168.746,756 411.989,757 41.002,758 93.683,759 34.061,760 114.697,761 411.989,762 114.697,763 168.746,764 0.589,765 0.353,766 0.193,767 0.105,768 32,769 13,770 0.063,771 5,772 3,773 1.214,774 4.851,775 370.383,776 0.214,777 28,778 186.75,780 24.625,781 10.221,782 4.701,784 114.697,785 17.701,786 3.767,787 5.216,788 6.003,790 85.367,791 695.432,792 52.5,797 72.989,798 82.6,799 0.208,800 0.558,801 0.789,802 0.924,803 0.933,804 0.933,805 5.269,806 1.834,807 6.229,808 5.789,809 4.812,810 5.223,812 7.125,813 4.796,814 6.471,815 1.728,816 7.843,817 4.975,818 4.511,819 4.913,821 8.39,822 4.484,823 7.792,824 1.658,825 9.577,826 4.559,827 6.509,828 7.32,830 11.534,831 6.485,832 9.147,833 1.561,834 11.389,835 4.463,836 7.099,837 7.84,839 13.714,840 7.068,841 10.538,842 1.245,843 13.258,844 3.562,845 8.576,846 9.701,848 16.476,849 8.545,850 11.952,851 1.076,852 15.166,853 3.193,854 9.559,855 10.607,857 18.979,858 9.522,859 13.385,860 1,861 17.105,862 2.389,863 10.87,864 12.228,866 21.66,867 10.831,868 3.65,869 0.876,870 19.068,871 2.275,872 12.02,873 13.334,875 24.273,876 11.975,877 3.154,878 14.645,879 21.05,880 2.048,881 13.288,882 14.835,884 26.942,885 13.239,886 2.877,887 11.437,888 23.047,889 3.984,890 14.508,891 16.051,893 29.595,894 14.453,895 2.589,896 9.062,897 25.055,898 3.923,899 15.771,900 17.489,902 32.267,903 15.711,904 2.445,905 8.823,906 27.074,907 3.613,908 17.023,909 18.767,911 34.935,912 16.957,913 2.241,914 6.921,915 29.1,916 3.456,917 18.291,918 20.172,920 37.611,921 18.22,922 2.003,923 6.883,924 31.132,925 2.986,926 19.558,927 21.486,929 40.287,930 19.482,931 22909,932 33850,933 28.72,934 49.074,935 65.135,936 64.284,937 65.182,938 63.455,939 63.4,940 77.637,942 190.306,943 62.764,944 5.663,945 5.701,946 7.7,947 5.647,948 5.65,949 6.984,951 23.041,952 5.63,953 14.47,954 1.551,955 1.531,956 1.552,957 1.511,958 1.51,959 1.849,961 4.531,962 1.494,963 4.123,964 4.155,965 4.044,966 4.059,967 6.471,968 4.051,969 3.988,970 4.006,971 3.945,972 3.916,973 6.448,974 3.917,975 3.876,976 3.906,977 3.795,978 3.799,979 5.244,980 3.793,981 3.75,982 3.789,983 3.684,984 3.628,985 4.854,986 3.626,987 3.669,988 3.71,989 3.547,990 3.527,991 4.631,992 3.535,993 3.494,994 3.542,995 3.375,996 3.379,997 4.448,998 3.372,999 3.415,1000 3.483,1001 3.253,1002 3.29,1003 4.299,1004 3.272,1005 3.212,1006 3.281,1007 3.063,1008 3.093,1009 4.052,1010 3.078,1011 0.111,1012 0.088,1013 0.188,1014 0.111,1015 0.087,1016 4.663,1017 0.095,1018 3.701,1020 7.876,1021 0.349,1022 4.645,1023 0.086,1024 3.65,1025 3.984,1027 14.645,1028 3.63,1029 2.063,1030 2.036,1031 2.194,1032 2.144,1033 1.644,1034 2.163,1035 1.934,1036 1.916,1037 2.032,1038 1.998,1039 1.343,1040 2.009,1041 1.787,1042 1.756,1043 1.96,1044 1.9,1045 1.22,1046 1.918,1047 1.729,1048 1.677,1049 1.929,1050 1.868,1051 1.175,1052 1.895,1053 1.598,1054 1.547,1055 1.839,1056 1.767,1057 1.109,1058 1.793,1059 1.483,1060 1.442,1061 1.697,1062 1.618,1063 0.981,1064 1.646,1065 1.387,1066 1.339,1067 1.599,1068 1.533,1069 0.857,1070 1.546,1071 1.301,1072 1.238,1073 1.568,1074 1.492,1075 0.675,1076 1.529,1077 4.443,1078 5.796,1079 3.045,1080 7.353,1081 5.352,1082 9.015,1083 7.424,1084 10.74,1086 2.35,1089 21.038,1090 9.816,1094 2.276,1096 0.072,1099 6.678,1100 45.648,1101 95.53,1102 256.352,1103 362.687,1104 424.745,1105 428.745,1106 428.745,1107 68.593,1108 8.964,1109 66.49,1110 66.49,1111 34,1112 13.153,1113 4.248,1114 3.524,1115 51.467,1116 195,1117 217,1118 0.122,1119 272.466,1120 483.57,1121 656.578,1122 128504,1124 25.407,1125 0.687,1126 0.586,1127 25.407,1128 21.697,1129 18.026,1130 0.429,1131 0.334,1132 13.953,1133 17.685,1134 13.617,1135 11.202,1136 18.026,1137 14.026,1138 16.525,1139 0.271,1140 0.193,1141 16.525,1142 11.777,1143 14.757,1144 0.172,1145 0.114,1146 14.757,1147 9.802,1148 12.448,1149 0.106,1150 0.068,1151 12.448,1152 7.898,1153 10.086,1154 0.066,1155 0.04,1156 10.086,1157 6.196,1158 0.198,1159 110.718,1160 0.187,1161 34.305,1162 0.315,1163 206,1164 449.68,1165 215.138,1166 444.712,1167 621.12,1168 418,1169 250,1170 469.974,1171 259.306,1172 478.175,1173 698.24,1174 453,1175 6.48}
{0 CHEMBL2326075,1 1.316,2 18.844,3 8.466,4 71.665,5 181.406,6 6.319,7 0.24,8 4.637,9 4.763,10 4.062,11 4.181,12 5.568,13 4.122,14 5.264,15 5.455,16 4.483,17 4.655,18 6.137,19 4.568,20 5.643,21 5.864,22 4.585,23 4.911,24 6.457,25 4.78,26 5.82,27 6.081,28 4.545,29 4.968,30 6.603,31 4.799,32 5.807,33 6.08,34 4.457,35 4.927,36 6.563,37 4.747,38 5.723,39 5.996,40 4.375,41 4.883,42 6.416,43 4.687,44 5.73,45 6.029,46 4.275,47 4.778,48 6.47,49 4.574,50 5.538,51 5.833,52 4.139,53 4.572,54 6.353,55 4.393,56 0.109,57 1.323,58 23.674,59 10.227,60 16.698,61 14.058,62 0.476,63 2.318,64 44.72,65 17.875,66 45.523,67 25.296,68 0.551,69 3.167,70 65.249,71 25.666,72 60.42,73 36.05,74 0.632,75 3.552,76 77.31,77 30.107,78 88.094,79 42.745,80 0.839,81 3.465,82 76.568,83 28.94,84 101.042,85 41.475,86 0.409,87 3.273,88 68.991,89 28.289,90 53.302,91 40.574,92 0.536,93 3.123,94 70.01,95 26.912,96 80.196,97 38.949,98 0.571,99 2.556,100 58.528,101 21.124,102 83.134,103 30.642,104 53,105 74,106 0.194,107 0.487,108 0.717,109 0.826,110 0.844,111 0.844,112 3.831,113 1.04,114 -6.48,115 -6.31,116 -5.86,118 40.2,119 4,120 9,121 4,122 1,124 4,125 1,126 1,134 2,135 7,136 3,137 2,144 1,146 28,147 3,148 5,150 4,151 43,152 1,153 2,155 6,156 45,158 7,161 4,162 40,163 2,164 3,166 4,167 35,169 3,171 6,172 29,174 9,176 6,177 24,179 6,181 6,182 19,184 4,187 4,188 25,189 4594,190 29.857,191 29.857,192 29.857,193 29.857,194 29.857,195 27.978,196 31.75,197 17.164,198 30.274,199 24.663,200 24.663,201 24.663,202 24.663,203 24.663,204 21.759,205 33.906,206 8.147,207 25.356,208 5.284,209 3.289,210 1.727,211 0.99,212 0.866,213 0.866,214 4.54,219 1868,220 5,221 91.102,222 644.119,224 158.066,225 368.991,226 2.987,227 39.39,230 0.5,231 0.5,232 0.67,233 0.8,234 1,235 0.67,236 1,237 0.73,238 95,239 848,240 4.663,241 3.849,242 7.876,243 4.645,244 3.65,245 3.984,246 2.208,247 14.645,248 3.63,249 4.36,250 3.701,251 6.88,252 4.15,253 3.154,254 3.759,255 0.8,256 11.437,257 3.142,258 4.218,259 3.335,260 6.484,261 4.089,262 3.154,263 3.613,264 0.655,265 10.252,266 2.937,267 4.186,268 3.245,269 6.159,270 3.845,271 2.898,272 3.282,273 0.13,274 9.106,275 2.754,276 3.949,277 3.116,278 6.154,279 3.592,280 2.637,281 3.132,283 8.823,284 2.56,285 3.784,286 2.9,287 5.906,288 3.578,289 2.589,290 2.986,292 8.231,293 2.51,294 3.766,295 2.7,296 5.428,297 3.374,298 2.399,299 2.853,301 6.911,302 2.323,303 3.421,304 2.444,305 5.326,306 3.228,307 2.241,308 2.574,309 6.883,310 2.212,311 3.332,312 2.358,313 5.26,314 2.975,315 2.003,316 2.286,317 5.789,318 1.938,319 3.179,320 2.266,321 4.877,322 2.775,323 1.78,324 2.223,325 4.975,326 1.769,327 2.864,328 2.253,329 4.639,330 2.659,331 1.673,332 1.873,333 4.463,334 1.646,335 2.743,336 1.889,337 4.453,338 2.61,339 1.637,340 1.736,341 4.451,342 1.583,343 2.693,344 1.691,345 4.099,346 2.531,347 1.551,348 1.692,349 3.569,350 1.51,351 2.526,352 1.635,353 4.031,354 2.242,355 1.25,356 1.522,357 3.244,358 1.238,359 2.5,360 1.362,361 3.788,362 2.131,363 1.165,364 1.5,365 3.143,366 1.114,367 21.633,368 0.481,369 1.415,370 0.031,371 44.25,372 0.983,373 16.5,374 0.367,375 27.75,376 0.617,377 63.238,378 1.405,379 50.967,380 0.525,381 33.102,382 0.736,383 7.04,384 0.156,385 14.475,386 0.322,387 0.139,388 0.046,389 0.291,391 0.856,392 1.294,393 0.964,394 1.166,395 0.805,396 1.09,397 0.693,398 1.084,399 0.931,400 1.038,401 0.501,402 1.007,403 1.092,404 1.096,405 1.132,406 1.121,407 0.827,408 1.128,409 0.98,410 1.06,411 1.034,412 1.064,413 1.055,414 1.06,415 1.049,416 0.905,417 1.05,418 0.936,419 1.24,420 0.986,421 0.521,422 1.119,423 0.994,424 1.146,425 0.563,426 1.126,427 0.728,428 0.977,429 0.896,430 0.981,431 0.792,432 0.962,433 1.081,434 0.836,435 0.922,436 0.852,437 1.087,438 0.864,439 11,440 0.251,441 6.444,442 3.729,443 2.844,444 1.945,445 1.288,446 0.716,447 0.55,448 0.394,449 44573,450 88978,451 2.082,452 53.6,453 23,454 16,457 2,459 11,461 1.819,462 1.929,463 4.055,464 0.005,469 127.638,470 1.316,471 3.311,472 4.873,473 5.61,474 5.734,475 5.734,476 3.434,477 4.986,478 5.466,479 4.405,480 4360.92,481 9.633,482 91053.5,487 640.192,488 1.63,489 5.406,490 0.22,491 0.006,492 0.087,493 0.048,494 0.039,495 0.029,496 0.021,497 0.014,498 0.012,499 0.009,500 0.485,501 0.17,502 0.63,503 0.906,504 271.02,505 -0.02,506 -0.054,507 0.055,508 0.021,509 -0.054,510 0.04,511 0.169,512 0.073,513 0.077,514 0.05,515 0.143,516 0.054,517 -0.09,518 -0.022,519 -0.126,520 -0.074,521 -0.043,522 -0.099,523 -0.05,524 -0.075,525 -0.053,526 -0.057,527 -0.042,528 -0.057,529 -0.062,530 0.074,531 -0.063,532 0.045,533 -0.112,534 -0.003,535 0.024,536 -0.132,537 -0.056,538 -0.123,539 0.004,540 -0.102,541 0.029,542 -0.044,543 0.057,544 -0.012,545 0.013,546 0.02,547 -0.044,548 0.109,549 0.065,550 0.089,551 -0.028,552 0.092,553 1.896,554 5.375,555 0.644,556 65.08,557 0.986,558 1.126,559 5.255,560 27.614,561 0.638,562 3.932,563 4.317,564 4.595,565 4.89,566 5.17,567 5.347,568 5.545,569 5.707,570 5.838,571 5.866,572 11.383,573 0.588,574 612.93,575 3.932,576 5.517,577 6.385,578 7.296,579 8.187,580 9.106,581 10.009,582 10.934,583 11.847,584 12.776,585 2.1,587 1,588 1,593 7,596 5,598 12,601 1,602 1,605 97,606 14,607 2,608 50,610 102,611 39,612 12,613 5,614 7,616 6,617 12,620 4,621 1,622 1,623 6,624 4,626 10,627 2,628 13,629 24,630 5,631 1,633 1,635 1,639 52,640 6,641 2,642 6,645 2,647 0.5,648 4,649 1,653 1,654 5,656 1,657 2,658 2,665 1,666 1,667 3,670 4,673 45,674 2,675 13,677 1,679 5,680 2,681 2,682 1,686 2,688 4.1,689 1,690 1,691 1,692 1,693 23.333,694 18.133,695 9.528,696 6.471,697 3.377,698 1.355,699 0.92,700 9.585,701 12.894,702 4.094,703 4.615,704 5.072,705 5.542,706 6.001,707 6.243,708 6.575,709 6.835,710 7.098,711 7.301,712 0.917,713 78,714 16.86,715 7.359,716 7.548,717 33.567,718 29.712,719 2.048,720 92.167,723 588.555,724 186.005,725 6.249,727 121.512,730 186.005,731 710.067,732 6.249,733 35.301,734 34.358,735 109.017,736 67.828,737 26.438,738 40.824,739 588.555,741 588.555,742 192.254,743 121.512,746 459.073,747 208.31,748 42.683,749 69.659,750 88.534,751 34.061,753 588.555,754 127.76,755 186.005,756 588.555,757 50.31,758 107.883,759 34.061,760 121.512,761 588.555,762 127.76,763 186.005,764 0.597,765 0.338,766 0.18,767 0.101,768 37,769 17,770 0.069,771 7,772 3,773 1.207,774 5.418,775 467.16,776 0.207,777 29,778 232.379,780 32.423,781 13.303,782 7.092,784 127.76,785 14.55,788 5.388,790 85.367,791 902.321,792 59,794 12.375,796 -0.23,797 95.603,798 109.214,799 0.199,800 0.502,801 0.738,802 0.85,803 0.869,804 0.869,805 5.416,806 2.241,807 6.428,808 6.911,809 5.004,810 5.303,811 2.41,812 7.326,813 4.952,814 6.622,815 2.003,816 8.049,817 6.883,818 4.844,819 5.139,820 1.905,821 8.626,822 4.756,823 7.95,824 1.78,825 9.785,826 5.789,827 6.735,828 7.341,829 3.541,830 11.702,831 6.636,832 9.306,833 1.673,834 11.593,835 4.975,836 7.378,837 7.918,838 3.664,839 13.854,840 7.253,841 10.694,842 1.637,843 13.451,844 4.463,845 8.81,846 9.673,847 4.957,848 16.582,849 8.676,850 12.103,851 1.551,852 15.345,853 4.451,854 9.798,855 10.585,856 5.371,857 19.056,858 9.651,859 13.529,860 1.25,861 17.267,862 3.569,863 11.084,864 12.153,865 6.458,866 21.717,867 10.931,868 3.65,869 1.165,870 19.212,871 3.244,872 12.22,873 13.242,874 7.028,875 24.313,876 12.063,877 3.154,878 14.645,879 21.176,880 3.143,881 13.468,882 14.716,883 7.994,884 26.971,885 13.31,886 3.154,887 11.437,888 23.155,889 3.984,890 14.671,891 15.908,892 8.654,893 29.615,894 14.513,895 2.898,896 10.252,897 25.148,898 3.759,899 15.916,900 17.331,901 9.549,902 32.281,903 15.759,904 2.637,905 9.106,906 27.153,907 3.613,908 17.152,909 18.586,910 10.263,911 34.945,912 16.997,913 2.589,914 8.823,915 29.166,916 3.282,917 18.406,918 19.98,919 11.116,920 37.618,921 18.252,922 2.399,923 8.231,924 31.188,925 3.132,926 19.659,927 21.275,928 11.862,929 40.292,930 19.508,931 41396,932 58586,933 32.997,934 61.864,935 77.621,936 78.37,937 78.438,938 76.065,939 75.949,940 87.755,941 7.586,942 231.241,943 73.988,944 5.663,945 5.849,946 7.7,947 5.712,948 5.65,949 6.984,950 3.912,951 23.041,952 5.63,953 26.405,954 1.552,955 1.567,956 1.569,957 1.521,958 1.519,959 1.755,960 0.152,961 4.625,962 1.48,963 4.126,964 4.159,965 4.045,966 4.06,967 7.433,968 4.052,969 3.971,970 4.011,971 3.909,972 3.891,973 6.471,974 3.89,975 3.876,976 3.907,977 3.795,978 3.799,979 6.448,980 3.793,981 3.796,982 3.838,983 3.714,984 3.625,985 4.882,986 3.632,987 3.714,988 3.768,989 3.581,990 3.589,991 4.634,992 3.583,993 3.661,994 3.722,995 3.52,996 3.512,997 4.568,998 3.506,999 3.5,1000 3.547,1001 3.384,1002 3.391,1003 4.509,1004 3.382,1005 3.419,1006 3.486,1007 3.262,1008 3.294,1009 4.3,1010 3.276,1011 0.093,1012 0.077,1013 0.158,1014 0.093,1015 0.073,1016 4.663,1017 0.08,1018 3.849,1019 0.044,1020 7.876,1021 0.293,1022 4.645,1023 0.073,1024 3.65,1025 3.984,1026 2.208,1027 14.645,1028 3.63,1029 2.063,1030 2.036,1031 2.194,1032 2.144,1033 1.644,1034 2.163,1035 1.938,1036 1.91,1037 2.052,1038 2.063,1039 1.343,1040 2.06,1041 1.787,1042 1.756,1043 1.971,1044 1.932,1045 1.294,1046 1.941,1047 1.752,1048 1.698,1049 1.948,1050 1.9,1051 1.219,1052 1.917,1053 1.711,1054 1.661,1055 1.933,1056 1.877,1057 1.175,1058 1.9,1059 1.66,1060 1.599,1061 1.879,1062 1.833,1063 1.118,1064 1.855,1065 1.593,1066 1.539,1067 1.837,1068 1.766,1069 1.045,1070 1.792,1071 1.452,1072 1.399,1073 1.69,1074 1.606,1075 0.977,1076 1.637,1077 4.615,1078 5.984,1079 2.398,1080 7.544,1081 4.844,1082 9.198,1083 7.034,1084 10.909,1086 8.054,1089 21.167,1090 12.644,1092 5.523,1094 2.215,1095 4.109,1096 -0.413,1099 6.784,1100 57.072,1101 127.638,1102 321.153,1103 472.708,1104 544.152,1105 556.152,1106 556.152,1107 102.643,1108 9.517,1109 73.24,1110 73.24,1111 35,1112 13.282,1113 3.907,1114 3.322,1115 69.229,1116 318,1117 295,1118 0.104,1119 343.738,1120 620.7,1121 830.482,1122 268072,1124 31.769,1125 0.706,1126 0.616,1127 31.769,1128 27.726,1129 21.515,1130 0.43,1131 0.347,1132 17.202,1133 20.983,1134 16.632,1135 13.732,1136 21.515,1137 17.334,1138 20.898,1139 0.282,1140 0.207,1141 20.898,1142 15.324,1143 16.913,1144 0.173,1145 0.116,1146 16.913,1147 11.358,1148 14.337,1149 0.109,1150 0.069,1151 14.337,1152 9.045,1153 11.688,1154 0.067,1155 0.041,1156 11.688,1157 7.097,1158 0.173,1159 132.733,1160 0.174,1161 40.586,1162 0.26,1163 248,1164 543.061,1165 264.454,1166 529.497,1167 729.51,1168 496,1169 296,1170 540.846,1171 311.185,1172 551.743,1173 808.11,1174 519,1175 6.36}
{0 CHEMBL2326076,1 1.265,2 17.15,3 7.637,4 58.319,5 157.493,6 6.619,7 0.273,8 4.467,9 4.58,10 3.924,11 4.048,12 5.466,13 3.993,14 5.075,15 5.246,16 4.315,17 4.511,18 6.007,19 4.422,20 5.454,21 5.668,22 4.445,23 4.741,24 6.355,25 4.62,26 5.595,27 5.831,28 4.41,29 4.803,30 6.519,31 4.645,32 5.637,33 5.912,34 4.32,35 4.778,36 6.392,37 4.597,38 5.568,39 5.837,40 4.264,41 4.695,42 6.381,43 4.52,44 5.485,45 5.754,46 4.136,47 4.591,48 6.337,49 4.414,50 5.34,51 5.612,52 3.989,53 4.456,54 6.189,55 4.271,56 0.075,57 1.041,58 18.875,59 8.951,60 15.441,61 11.651,62 0.275,63 1.836,64 35.598,65 15.898,66 41.276,67 21.282,68 0.411,69 2.559,70 53.292,71 22.163,72 75.749,73 30.025,74 0.677,75 2.895,76 61.804,77 25.236,78 128.538,79 34.808,80 0.479,81 2.98,82 64.564,83 26.189,84 92.832,85 36.853,86 0.46,87 2.762,88 60.416,89 24.185,90 87.597,91 33.873,92 0.522,93 2.511,94 56.067,95 21.906,96 96.398,97 30.52,98 0.364,99 2.195,100 48.09,101 19.244,102 77.294,103 27.016,104 42,105 63,106 0.192,107 0.524,108 0.767,109 0.885,110 0.892,111 0.892,112 3.717,113 1.028,114 -6.48,115 -6.3,116 -5.85,118 42.7,119 2,120 10,121 4,122 1,124 1,125 1,134 2,135 7,136 4,137 1,142 1,143 1,146 30,147 1,148 5,150 4,151 43,153 2,155 6,156 48,157 2,158 5,161 4,162 44,164 5,166 4,167 37,169 6,171 6,172 32,174 3,176 6,177 28,179 3,181 6,182 23,184 3,187 4,188 22,189 3498,190 26.971,191 26.971,192 26.971,193 26.971,194 26.971,195 24.95,196 20.86,197 15.853,198 27.205,199 21.652,200 21.652,201 21.652,202 21.652,203 21.652,204 18.492,205 12.819,206 7.435,207 21.925,208 5.093,209 2.905,210 1.308,211 0.531,212 0.482,213 0.482,214 4.42,219 1498,220 4.796,221 76.14,222 407.87,224 131.328,225 307.082,226 2.585,227 44.285,230 0.5,231 0.67,232 0.5,233 0.8,234 1,235 0.67,236 1,237 0.73,238 85,239 686,240 4.663,241 3.812,242 7.876,243 4.645,244 3.65,245 3.984,246 2.509,247 14.645,248 3.63,249 4.36,250 3.701,251 6.88,252 4.15,253 3.154,254 3.818,255 1.318,256 11.437,257 3.142,258 4.24,259 3.444,260 6.154,261 3.865,262 2.847,263 3.613,264 0.275,265 8.823,266 2.895,267 4.003,268 3.335,269 6.052,270 3.578,271 2.589,272 3.28,274 8.685,275 2.56,276 3.784,277 2.946,278 5.428,279 3.462,280 2.461,281 2.986,283 6.909,284 2.46,285 3.62,286 2.7,287 5.325,288 3.229,289 2.242,290 2.789,292 6.883,293 2.213,294 3.421,295 2.445,296 5.26,297 3.191,298 2.209,299 2.574,301 5.999,302 2.146,303 3.324,304 2.358,305 5.019,306 2.975,307 2.003,308 2.287,309 5.789,310 1.938,311 3.179,312 2.26,313 4.877,314 2.763,315 1.764,316 2.231,317 4.975,318 1.761,319 2.768,320 1.958,321 4.639,322 2.646,323 1.663,324 1.784,325 4.463,326 1.636,327 2.714,328 1.888,329 4.099,330 2.553,331 1.575,332 1.705,333 3.616,334 1.53,335 2.692,336 1.816,337 4.035,338 2.367,339 1.361,340 1.663,341 3.371,342 1.359,343 2.525,344 1.684,345 3.784,346 2.226,347 1.231,348 1.52,349 3.159,350 1.223,351 2.5,352 1.364,353 3.62,354 2.034,355 1.047,356 1.5,357 2.311,358 1.031,359 2.417,360 1.152,361 3.414,362 2,363 1,364 1.278,365 2.275,366 1,367 19.167,368 0.479,369 1.048,370 0.026,371 41,372 1.025,373 17.5,374 0.438,375 23.5,376 0.588,377 51.282,378 1.282,379 44.433,380 0.542,381 30.862,382 0.772,383 6.77,384 0.169,385 12.525,386 0.313,387 0.122,388 0.026,389 0.313,391 0.756,392 1.08,393 0.913,394 1.073,395 0.7,396 1.021,397 0.629,398 1.091,399 0.928,400 1.09,401 0.539,402 1.054,403 0.917,404 1.056,405 1.025,406 1.058,407 0.838,408 1.056,409 0.742,410 1.1,411 1.067,412 1.112,413 0.8,414 1.129,415 0.622,416 0.981,417 0.917,418 0.989,419 0.671,420 0.991,421 0.712,422 1.013,423 0.938,424 1.017,425 0.685,426 1.008,427 0.905,428 0.968,429 1.002,430 0.976,431 0.908,432 0.998,433 0.7,434 1.046,435 0.972,436 1.052,437 0.709,438 1.048,439 8.5,440 0.202,441 5.556,442 3.354,443 2.622,444 1.639,445 1.025,446 0.642,447 0.455,448 0.283,449 29953,450 69487,451 2.071,452 51.2,453 23,454 10,457 2,458 2,459 5,461 1.794,462 1.928,463 3.921,464 0.025,469 103.707,470 1.265,471 3.453,472 5.05,473 5.827,474 5.876,475 5.876,476 3.302,477 5.022,478 5.292,479 4.22,480 3291.95,481 9.304,482 61116.2,487 521.319,488 1.553,489 5.243,490 0.193,491 0.006,492 0.088,493 0.049,494 0.042,495 0.028,496 0.019,497 0.014,498 0.011,499 0.008,500 0.458,501 0.17,502 0.63,503 1.209,504 230.967,505 -0.04,506 0.076,507 0.032,508 0.075,509 -0.036,510 0.065,511 0.078,512 -0.001,513 0.019,514 -0.002,515 0.071,517 -0.062,518 -0.024,519 -0.057,520 -0.027,521 -0.013,522 -0.039,523 0.053,524 -0.093,525 -0.105,526 -0.102,527 0.065,528 -0.121,529 0.011,530 -0.006,531 0.028,532 -0.002,533 0.003,534 0.013,535 0.007,536 -0.039,537 0.018,538 -0.033,539 0.025,540 -0.01,541 -0.051,542 -0.001,543 -0.03,544 -0.002,545 -0.051,546 -0.012,547 0.003,548 -0.074,549 -0.018,550 -0.07,551 -0.01,552 -0.05,553 2.166,554 5.21,555 0.575,556 53.418,557 0.99,558 1.119,559 5.247,560 27.528,561 0.65,562 3.807,563 4.159,564 4.466,565 4.754,566 5.03,567 5.215,568 5.403,569 5.572,570 5.694,571 5.714,572 9.981,573 0.605,574 542.77,575 3.807,576 5.371,577 6.24,578 7.141,579 8.038,580 8.952,581 9.864,582 10.788,583 11.71,584 12.641,593 7,596 5,598 12,600 1,602 1,605 82,606 15,607 2,608 44,610 86,611 35,612 12,613 5,614 7,615 1,616 5,617 11,620 2,621 1,622 1,623 6,624 4,626 11,627 2,628 14,629 19,630 4,631 2,633 2,635 2,639 42,640 5,641 2,642 5,647 0.4,648 5,649 1,653 1,654 4,656 1,657 2,658 2,660 1,666 1,667 2,670 2,673 40,674 2,675 11,677 1,679 5,681 1,682 1,686 2,688 6.1,689 1,690 1,691 2,692 1,693 20.75,694 14.9,695 8.792,696 5.617,697 3.278,698 1.367,699 0.916,700 8.911,701 12.197,702 4.007,703 4.522,704 5.014,705 5.492,706 5.959,707 6.212,708 6.539,709 6.757,710 7.016,711 7.12,712 0.909,713 69,714 14.992,715 6.563,716 7.715,717 29.364,718 25.77,719 2.215,720 88.583,723 470.844,724 173.05,727 146.656,730 173.05,731 617.501,733 17.65,734 29.938,735 109.017,736 105.298,737 23.742,738 34.061,739 470.844,741 470.844,742 173.05,743 146.656,746 411.989,747 162.829,748 42.683,749 47.588,750 91.401,751 34.061,753 470.844,754 146.656,755 173.05,756 470.844,757 55.005,758 83.984,759 34.061,760 146.656,761 470.844,762 146.656,763 173.05,764 0.584,765 0.345,766 0.185,767 0.101,768 30,769 14,770 0.105,771 9,772 3,773 1.261,774 4.997,775 395.211,776 0.261,777 23,778 208.877,780 28.751,781 12.398,782 6.134,784 146.656,785 13.091,788 4.465,790 85.367,791 790.551,792 54,794 23.76,796 -0.744,797 81.192,798 91.766,799 0.199,800 0.543,801 0.794,802 0.917,803 0.924,804 0.924,805 5.298,806 2.003,807 6.256,808 5.999,809 4.844,810 5.209,811 2.723,812 7.143,813 4.828,814 6.496,815 1.764,816 7.867,817 5.789,818 4.575,819 4.987,820 2.243,821 8.399,822 4.56,823 7.816,824 1.663,825 9.598,826 4.975,827 6.532,828 7.267,829 4.085,830 11.534,831 6.512,832 9.168,833 1.575,834 11.406,835 4.463,836 7.124,837 7.823,838 4.356,839 13.707,840 7.105,841 10.554,842 1.361,843 13.269,844 3.616,845 8.588,846 9.621,847 5.704,848 16.47,849 8.565,850 11.963,851 1.231,852 15.172,853 3.371,854 9.567,855 10.535,856 6.323,857 18.973,858 9.542,859 13.391,860 1.047,861 17.108,862 3.159,863 10.873,864 12.127,865 7.444,866 21.655,867 10.844,868 3.65,869 1,870 19.068,871 2.311,872 12.02,873 13.226,874 8.223,875 24.269,876 11.987,877 3.154,878 14.645,879 21.048,880 2.275,881 13.286,882 14.714,883 9.238,884 26.94,885 13.248,886 2.847,887 11.437,888 23.043,889 3.984,890 14.505,891 15.918,892 10.091,893 29.593,894 14.461,895 2.589,896 8.823,897 25.052,898 3.818,899 15.768,900 17.351,901 11.057,902 32.266,903 15.717,904 2.461,905 8.685,906 27.07,907 3.613,908 17.019,909 18.616,910 11.944,911 34.935,912 16.963,913 2.242,914 6.909,915 29.096,916 3.28,917 18.288,918 20.017,919 12.886,920 37.611,921 18.224,922 2.209,923 6.883,924 31.129,925 2.986,926 19.555,927 21.321,928 13.79,929 40.287,930 19.485,931 28365,932 43356,933 29.126,934 53.262,935 67.272,936 68.927,937 69.136,938 65.782,939 65.77,940 78.645,941 8.203,942 195.381,943 65.137,944 5.663,945 5.812,946 7.7,947 5.645,948 5.65,949 6.984,950 4.291,951 23.041,952 5.63,953 22.356,954 1.529,955 1.567,956 1.571,957 1.495,958 1.495,959 1.787,960 0.186,961 4.44,962 1.48,963 4.123,964 4.155,965 4.043,966 4.059,967 7.445,968 4.051,969 3.955,970 3.974,971 3.905,972 3.902,973 7.414,974 3.899,975 3.876,976 3.906,977 3.795,978 3.799,979 6.471,980 3.793,981 3.718,982 3.767,983 3.609,984 3.612,985 6.448,986 3.599,987 3.642,988 3.664,989 3.54,990 3.462,991 4.867,992 3.475,993 3.509,994 3.555,995 3.395,996 3.377,997 4.632,998 3.377,999 3.432,1000 3.495,1001 3.278,1002 3.295,1003 4.47,1004 3.28,1005 3.383,1006 3.448,1007 3.208,1008 3.217,1009 4.448,1010 3.203,1011 0.106,1012 0.087,1013 0.179,1014 0.106,1015 0.083,1016 4.663,1017 0.091,1018 3.812,1019 0.057,1020 7.876,1021 0.333,1022 4.645,1023 0.083,1024 3.65,1025 3.984,1026 2.509,1027 14.645,1028 3.63,1029 2.063,1030 2.036,1031 2.194,1032 2.144,1033 1.644,1034 2.163,1035 1.939,1036 1.921,1037 2.037,1038 2.013,1039 1.343,1040 2.02,1041 1.787,1042 1.756,1043 1.962,1044 1.9,1045 1.22,1046 1.919,1047 1.731,1048 1.68,1049 1.93,1050 1.874,1051 1.176,1052 1.898,1053 1.602,1054 1.558,1055 1.839,1056 1.8,1057 1.119,1058 1.8,1059 1.556,1060 1.519,1061 1.814,1062 1.766,1063 0.982,1064 1.789,1065 1.464,1066 1.409,1067 1.701,1068 1.632,1069 0.944,1070 1.657,1071 1.382,1072 1.32,1073 1.625,1074 1.578,1075 0.857,1076 1.601,1077 4.489,1078 5.832,1079 2.398,1080 7.378,1081 4.844,1082 9.031,1083 7.034,1084 10.748,1086 4.049,1089 21.049,1090 9.431,1092 4.853,1094 2.094,1096 0.04,1099 6.497,1100 49.637,1101 103.707,1102 283.145,1103 414.1,1104 477.809,1105 481.809,1106 481.809,1107 102.41,1108 8.919,1109 83.83,1110 83.83,1111 29,1112 13.144,1113 4,1114 3.459,1115 64.554,1116 241,1117 286,1118 0.127,1119 300.243,1120 548.01,1121 724.352,1122 121515,1124 28.277,1125 0.707,1126 0.596,1127 28.277,1128 23.826,1129 19.296,1130 0.439,1131 0.343,1132 14.98,1133 18.87,1134 14.582,1135 12.001,1136 19.296,1137 15.074,1138 17.588,1139 0.279,1140 0.195,1141 17.588,1142 12.305,1143 15.051,1144 0.175,1145 0.116,1146 15.051,1147 10.012,1148 12.554,1149 0.109,1150 0.07,1151 12.554,1152 8,1153 10.077,1154 0.066,1155 0.041,1156 10.077,1157 6.257,1158 0.209,1159 118.993,1160 0.185,1161 36.706,1162 0.323,1163 214,1164 523.506,1165 226.179,1166 505.404,1167 680.73,1168 472,1169 256,1170 483.03,1171 266.299,1172 491.128,1173 718.59,1174 465,1175 6.733}
{0 CHEMBL250097,1 1.665,2 8.095,3 3.914,4 15.319,5 80.772,6 11.102,7 0.708,8 3.606,9 3.665,10 3.503,11 3.265,12 4.848,13 3.264,14 4.073,15 4.15,16 3.968,17 3.682,18 5.322,19 3.671,20 4.33,21 4.435,22 4.234,23 3.847,24 5.564,25 3.807,26 4.361,27 4.502,28 4.298,29 3.785,30 5.581,31 3.707,32 4.147,33 4.29,34 4.062,35 3.608,36 5.338,37 3.526,38 4.024,39 4.172,40 3.651,41 3.425,42 5.201,43 3.316,44 3.86,45 4.039,46 3.253,47 3.122,48 5.049,49 3.012,50 3.518,51 3.723,52 3.024,53 2.643,54 4.738,55 2.575,56 0.113,57 0.36,58 1.883,59 2.54,60 13.412,61 2.38,62 0.17,63 0.592,64 3.694,65 4.281,66 11.488,67 4.193,68 0.297,69 0.786,70 7.062,71 6.041,72 30.799,73 5.624,74 0.515,75 0.825,76 27.782,77 7.434,78 41.451,79 6.834,80 0.311,81 0.649,82 15.537,83 5.935,84 29.034,85 5.983,86 0.282,87 0.559,88 21.082,89 5.654,90 29.681,91 5.617,92 0.32,93 0.483,94 17.713,95 4.862,96 30.584,97 5.098,98 0.204,99 0.347,100 9.642,101 3.383,102 17.686,103 3.743,104 10,105 36,106 0.308,107 0.667,108 0.764,109 0.868,110 0.892,111 0.904,112 3.106,113 0.9,114 -3.49,115 -3.47,116 -3.31,117 1,118 51.6,124 1,135 6,136 3,137 4,139 2,146 4,148 7,150 4,151 9,153 4,155 3,156 6,157 1,158 6,159 1,161 1,162 7,164 1,165 1,166 2,167 7,169 1,170 1,171 1,172 8,174 1,175 1,176 1,177 4,181 4,187 4,189 453,190 14.171,191 14.171,192 14.171,193 14.171,194 14.171,195 12.093,196 12.148,197 8.036,198 14.514,199 11.837,200 11.837,201 11.837,202 11.837,203 11.837,204 8.656,205 12.14,206 3.831,207 12.501,208 3.289,209 1.348,210 0.823,211 0.258,212 0.129,213 0.065,214 3.804,216 1,217 1,218 1,219 379,220 2.121,222 124.772,225 152.955,226 1.261,227 23.834,230 1,231 0.83,232 1,233 0.4,235 1,236 1,237 0.75,238 45.25,239 170,240 4.696,241 3.51,242 6.916,243 4.258,244 3.3,245 4.611,246 1.151,247 11.608,248 3.152,249 4.316,250 3.102,251 6.423,252 3.875,253 2.909,254 4.013,256 9.866,257 2.804,258 3.869,259 2.698,260 5.816,261 3.434,262 2.47,263 3.401,265 7.856,266 2.37,267 3.547,268 2.482,269 5.316,270 3.109,271 2.179,272 2.932,274 6.486,275 2.005,276 3.472,277 2.335,278 4.957,279 3.014,280 2.073,281 2.849,283 5.804,284 1.936,285 3.209,286 2.175,287 4.873,288 2.778,289 1.852,290 2.467,292 5.371,293 1.694,294 2.901,295 1.95,296 4.514,297 2.505,298 1.558,299 2.037,301 4.337,302 1.459,303 2.461,304 1.208,305 3.82,306 1.976,307 1.007,308 1.445,309 2.607,310 0.964,311 2.082,312 1.099,313 3.541,314 1.718,315 0.839,316 1.011,317 2.064,318 0.67,319 1.515,320 0.602,321 3.007,322 1.052,323 0.183,324 0.232,325 0.458,326 0.135,327 1.181,328 0.274,329 2.831,330 0.782,331 -0.108,332 -0.129,333 -0.276,334 -0.088,335 1.08,336 0.037,337 2.506,338 0.676,339 -0.251,340 -0.322,341 -0.622,342 -0.23,343 0.671,344 -0.263,345 2.373,346 0.229,347 -0.712,348 -0.884,349 -1.978,350 -0.561,351 0.626,352 -0.485,353 2.346,354 0.145,355 -0.762,356 -0.998,357 -2.161,358 -0.685,359 0.36,360 -0.747,361 2.137,362 -0.033,363 -0.939,364 -1.214,365 -2.612,366 -0.82,367 10.733,368 0.511,369 0.627,370 0.03,371 31,372 1.476,373 17.5,374 0.833,375 13.5,376 0.643,377 15.383,378 0.733,379 20.467,380 0.66,381 19.216,382 0.915,383 5.869,384 0.279,385 4.262,386 0.203,387 0.186,389 0.419,391 0.936,392 0.87,393 0.46,394 0.623,395 1.007,396 0.636,397 0.876,398 1.042,399 0.547,400 0.746,401 0.609,402 0.75,403 1.075,404 1.15,405 0.823,406 0.859,407 0.999,408 0.903,409 0.875,410 0.98,411 1.593,412 1.199,413 0.776,414 1.063,415 0.777,416 0.949,417 1.183,418 1.061,419 0.66,420 1.021,421 0.971,422 1.018,423 1.524,424 1.302,425 0.943,426 1.279,427 0.948,428 0.961,429 1.149,430 1.143,431 1.036,432 1.197,433 0.948,434 1.018,435 0.495,436 1.017,437 1.032,438 1.041,439 4.5,440 0.041,441 2.889,442 1.688,443 2.067,444 0.75,445 0.461,446 0.208,447 0.172,448 0.04,449 4076,450 13710,451 2.155,452 32.3,454 8,457 2,461 1.636,462 2,463 2.99,464 0.331,466 1,469 51.606,470 1.665,471 3.607,472 4.131,473 4.696,474 4.825,475 4.89,476 2.506,477 4.297,478 4.364,479 3.052,480 640.977,481 7.498,482 6343.58,484 1,485 1,486 1,487 153.58,488 1.449,489 4.318,490 0.188,491 0.021,492 0.08,493 0.043,494 0.063,495 0.028,496 0.023,497 0.015,498 0.019,499 0.008,500 0.487,501 0.5,502 1,503 0.61,504 91.771,505 -0.147,506 0.067,507 -0.011,508 0.092,509 -0.209,510 0.085,511 -0.099,512 -0.09,513 0.004,514 0.012,515 0.007,516 0.019,517 -0.172,518 -0.163,519 0.002,520 0.012,521 -0.15,522 -0.057,523 0.076,524 0.056,525 -0.085,526 -0.089,527 -0.011,528 -0.076,529 0.058,530 0.011,531 0.012,532 -0.029,533 0.079,534 -0.021,535 -0.07,536 -0.092,537 -0.188,538 -0.211,539 -0.056,540 -0.242,541 0.064,542 -0.024,543 -0.107,544 -0.092,545 -0.01,546 -0.095,547 0.116,548 -0.083,549 0.158,550 -0.045,551 0.132,552 0.114,553 1.498,554 3.639,555 0.857,556 13.224,557 1.024,558 1.098,559 2.261,560 5.111,561 0.759,562 3.219,563 3.611,564 3.951,565 4.29,566 4.635,567 4.771,568 4.949,569 5.142,570 5.278,571 5.215,572 4.593,573 0.736,574 344.17,575 3.219,576 4.796,577 5.687,578 6.605,579 7.516,580 8.439,581 9.357,582 10.282,583 11.203,584 12.13,585 3.2,591 1,592 2,593 6,594 1,596 7,598 17,602 2,603 1,604 1,605 31,606 17,607 2,608 24,609 1,610 34,611 16,612 15,613 6,614 6,616 4,617 10,628 15,629 1,637 1,639 10,640 4,641 2,642 5,643 1,645 1,647 0.25,648 3,650 1,654 4,657 3,667 1,669 1,673 21,674 2,675 1,677 1,687 1,688 9.7,690 2,692 1,693 10.5,694 5.66,695 4.417,696 1.75,697 3.633,698 1.481,699 1.004,700 2.84,701 11.18,702 3.512,703 4.234,704 4.914,705 5.587,706 6.263,707 6.674,708 7.159,709 7.669,710 8.136,711 8.367,712 0.833,713 39,714 7.733,715 3.45,716 7.869,717 14.562,718 12.459,719 2.369,720 49.75,723 94.169,724 83.593,725 62.74,727 96.367,730 129.547,731 190.535,732 16.786,734 4.592,735 56.857,736 102.152,737 33.143,739 94.169,740 45.954,741 94.169,742 100.379,743 96.367,745 45.954,746 94.169,747 96.367,749 9.493,750 74.1,751 16.786,752 45.954,753 94.169,754 113.152,755 129.547,756 94.169,757 26.736,758 56.857,759 45.954,760 113.152,761 94.169,762 113.152,763 129.547,764 0.601,765 0.36,766 0.202,767 0.123,768 21,769 9,772 3,773 1.333,774 3.244,775 179.791,776 0.333,777 18,778 92.239,780 12.924,781 4.614,782 1.979,783 1.638,784 113.152,785 10.09,786 4.686,788 4.489,790 85.367,791 336.868,792 32.5,797 31.731,798 34.044,799 0.336,800 0.728,801 0.834,802 0.948,803 0.974,804 0.987,805 4.773,806 1.007,807 5.707,808 4.337,809 4.29,810 4.92,811 1.294,812 6.589,813 4.182,814 6.032,815 0.839,816 7.31,817 2.607,818 4.007,819 4.913,821 7.597,822 3.829,823 7.38,824 0.183,825 9.01,826 2.064,827 5.953,828 7.261,829 1.506,830 10.748,831 5.769,832 8.764,833 -0.108,834 10.766,835 0.458,836 6.447,837 8.034,839 12.567,840 6.191,841 10.177,842 -0.251,843 12.559,844 -0.276,845 7.906,846 9.889,847 1.731,848 15.257,849 7.642,850 11.611,851 -0.712,852 14.377,853 -0.622,854 8.766,855 11.037,857 17.424,858 8.437,859 13.063,860 -0.762,861 16.215,862 -1.978,863 10.038,864 12.69,865 1.968,866 19.952,867 9.691,868 3.3,869 -0.939,870 18.067,871 -2.161,872 11.072,873 14.027,875 22.269,876 10.665,877 2.909,878 11.608,879 19.932,880 -2.612,881 12.275,882 15.595,883 2.214,884 24.738,885 11.838,886 2.47,887 9.866,888 21.806,889 4.611,890 13.387,891 17.024,893 27.123,894 12.897,895 2.179,896 7.856,897 23.688,898 4.013,899 14.569,900 18.557,901 2.468,902 29.571,903 14.041,904 2.073,905 6.486,906 25.577,907 3.401,908 15.717,909 20.031,911 31.986,912 15.139,913 1.852,914 5.804,915 27.471,916 2.932,917 16.894,918 21.552,919 2.727,920 34.43,921 16.274,922 1.558,923 5.371,924 29.37,925 2.849,926 18.06,927 23.049,929 36.859,930 17.392,931 3869,932 7180,933 16.126,934 23.529,935 37.051,936 37.733,937 38.365,938 36.855,939 36.74,940 49.996,941 2.302,942 112.912,943 34.379,944 5.579,945 5.51,946 6.219,947 5.345,948 5.3,949 7.611,950 2.302,951 19.294,952 5.152,953 9.542,954 1.544,955 1.572,956 1.599,957 1.536,958 1.531,959 2.083,960 0.096,961 4.705,962 1.432,963 4.12,964 4.135,965 6.881,966 4.063,967 6.473,968 4.063,969 3.871,970 3.884,971 4.043,972 3.803,973 6.468,974 3.806,975 3.499,976 3.52,977 3.819,978 3.419,979 4.987,980 3.409,981 3.103,982 3.14,983 3.395,984 2.95,985 4.682,986 2.928,987 3.017,988 3.041,989 3.018,990 2.872,991 4.235,992 2.892,993 2.893,994 2.926,995 2.827,996 2.731,997 4.102,998 2.736,999 2.717,1000 2.778,1001 2.78,1002 2.584,1003 3.955,1004 2.572,1005 2.495,1006 2.527,1007 2.57,1008 2.331,1009 3.498,1010 2.231,1011 0.196,1012 0.146,1013 0.288,1014 0.177,1015 0.137,1016 4.696,1017 0.192,1018 3.51,1019 0.048,1020 6.916,1021 0.484,1022 4.258,1023 0.131,1024 3.3,1025 4.611,1026 1.151,1027 11.608,1028 3.152,1029 2.066,1030 2.053,1031 2.101,1032 2.144,1033 1.29,1034 2.137,1035 1.85,1036 1.837,1037 1.935,1038 1.943,1039 1.052,1040 1.94,1041 1.468,1042 1.447,1043 1.6,1044 1.605,1045 0.79,1046 1.606,1047 1.01,1048 0.969,1049 1.21,1050 1.278,1051 0.337,1052 1.252,1053 0.98,1054 0.952,1055 1.163,1056 1.12,1057 0.224,1058 1.144,1059 0.844,1060 0.808,1061 1.081,1062 1.081,1063 0.148,1064 1.069,1065 0.716,1066 0.664,1067 0.926,1068 0.924,1069 0.02,1070 0.943,1071 0.351,1072 0.317,1073 0.655,1074 0.761,1076 0.724,1077 3.892,1078 5.263,1080 6.849,1082 8.54,1084 10.285,1085 3.588,1089 19.195,1090 0.366,1092 5.698,1100 22.825,1101 51.606,1102 111.806,1103 128.07,1104 145.58,1105 149.58,1106 151.58,1107 29.493,1108 7.547,1109 62.58,1110 62.58,1111 24,1112 12.635,1113 4.17,1114 3.248,1115 27.881,1116 59,1117 59,1118 0.249,1119 141.952,1120 238.75,1121 338.123,1122 17934,1123 3.2,1124 14.56,1125 0.693,1126 0.59,1127 15.56,1128 12.385,1129 10.131,1130 0.422,1131 0.3,1132 6.375,1133 9.292,1134 6.211,1135 5.068,1136 10.708,1137 7.199,1138 9.684,1139 0.269,1140 0.159,1141 10.351,1142 5.717,1143 8.51,1144 0.167,1145 0.088,1146 9.366,1147 4.498,1148 7.45,1149 0.103,1150 0.044,1151 8.272,1152 3.202,1153 6.695,1154 0.066,1155 0.023,1156 7.419,1157 2.338,1158 0.37,1159 71.629,1160 0.249,1161 20.098,1162 0.748,1163 120,1164 364.334,1165 195.675,1166 388.972,1167 525.43,1168 362,1169 147,1170 366.065,1171 196.376,1172 383.866,1173 570.6,1174 362,1175 7.252}
{0 CHEMBL250300,1 1.474,2 8.136,3 3.717,4 13.818,5 82.836,6 8.323,7 0.68,8 3.701,9 3.776,10 3.361,11 3.318,12 4.943,13 3.32,14 4.16,15 4.257,16 3.759,17 3.712,18 5.38,19 3.709,20 4.417,21 4.543,22 3.886,23 3.866,24 5.615,25 3.851,26 4.483,27 4.639,28 3.822,29 3.855,30 5.664,31 3.813,32 4.454,33 4.63,34 3.689,35 3.792,36 5.605,37 3.728,38 4.394,39 4.591,40 3.451,41 3.629,42 5.547,43 3.542,44 4.193,45 4.408,46 3.111,47 3.356,48 5.33,49 3.239,50 3.875,51 4.134,52 2.687,53 2.921,54 4.93,55 2.793,56 0.072,57 0.426,58 5.7,59 3.138,60 14.178,61 3.294,62 0.103,63 0.691,64 9.663,65 5.068,66 13.245,67 5.559,68 0.201,69 0.912,70 13.937,71 6.544,72 30.34,73 7.175,74 0.35,75 1.004,76 16.015,77 7.007,78 37.449,79 8.194,80 0.245,81 0.959,82 16.325,83 7.275,84 36.054,85 8.782,86 0.312,87 0.889,88 16.903,89 7.023,90 46.336,91 8.408,92 0.316,93 0.712,94 14.708,95 6.008,96 42.44,97 7.434,98 0.154,99 0.52,100 11.902,101 4.625,102 22.66,103 6.126,104 11,105 37,106 0.265,107 0.63,108 0.78,109 0.87,110 0.89,111 0.9,112 3.149,113 0.83,114 -3.53,115 -3.51,116 -3.35,118 51.4,124 1,128 1,129 1,135 6,136 4,137 3,139 2,146 8,148 7,150 4,151 11,153 6,155 3,156 10,157 1,158 6,159 1,161 2,162 10,164 3,165 1,166 2,167 11,169 1,170 1,171 2,172 10,174 1,175 1,176 2,177 6,181 4,187 5,189 516,190 15.041,191 15.041,192 15.041,193 15.041,194 15.041,195 12.962,196 11.858,197 8.573,198 15.283,199 12.285,200 12.285,201 12.285,202 12.285,203 12.285,204 8.99,205 12.801,206 3.988,207 12.714,208 3.655,209 1.623,210 0.786,211 0.286,212 0.171,213 0.114,214 3.849,216 1,217 1,218 1,219 396,220 2.345,222 132.49,225 163.065,226 1.252,227 24.317,229 1,230 1,231 1,232 1,233 0.4,235 1,236 1,237 0.77,238 47.5,239 179,240 4.71,241 3.435,242 6.95,243 4.294,244 3.312,245 4.627,246 1.151,247 11.785,248 3.251,249 4.32,250 3.038,251 6.449,252 3.895,253 2.917,254 4.014,256 9.985,257 2.851,258 3.882,259 2.677,260 5.829,261 3.455,262 2.479,263 3.418,265 7.912,266 2.416,267 3.591,268 2.424,269 5.372,270 3.175,271 2.211,272 2.989,274 6.673,275 2.124,276 3.475,277 2.301,278 4.957,279 3.024,280 2.077,281 2.85,283 5.804,284 1.958,285 3.217,286 2.169,287 4.884,288 2.793,289 1.857,290 2.474,292 5.406,293 1.732,294 2.905,295 1.818,296 4.529,297 2.534,298 1.579,299 2.038,301 4.382,302 1.497,303 2.605,304 1.13,305 3.881,306 2.072,307 1.075,308 1.565,309 2.7,310 1.071,311 2.362,312 1.078,313 3.662,314 1.919,315 0.958,316 1.245,317 2.323,318 0.914,319 1.933,320 0.617,321 3.084,322 1.397,323 0.452,324 0.641,325 0.906,326 0.424,327 1.403,328 0.281,329 2.835,330 0.939,335 1.155,336 0.038,337 2.563,338 0.72,339 -0.229,340 -0.302,341 -0.58,342 -0.215,343 1.059,344 -0.056,345 2.444,346 0.642,347 -0.302,348 -0.409,349 -0.658,350 -0.284,351 0.668,352 -0.4,353 2.362,354 0.229,355 -0.723,356 -0.933,357 -2.055,358 -0.672,359 0.58,360 -0.627,361 2.325,362 0.121,363 -0.83,364 -1.079,365 -2.273,366 -0.77,367 10.4,368 0.473,369 0.589,370 0.027,371 33,372 1.5,373 19,374 0.864,375 14,376 0.636,377 13.628,378 0.619,379 22,380 0.629,381 23.399,382 1.064,383 6.632,384 0.301,385 4.037,386 0.184,387 0.112,389 0.433,391 0.942,392 0.91,393 0.721,394 0.816,395 1.042,396 0.744,397 0.877,398 1.044,399 0.727,400 0.921,401 0.62,402 0.82,403 1.055,404 1.108,405 0.905,406 0.967,407 0.964,408 0.916,409 0.813,410 1.048,411 1.001,412 1.006,413 0.73,414 1.024,415 0.807,416 1.055,417 1.018,418 1.086,419 0.643,420 1.091,421 1.015,422 0.962,423 1.159,424 1.063,425 0.94,426 1.125,427 0.895,428 0.987,429 1.162,430 1.101,431 1.111,432 1.174,433 0.825,434 0.952,435 0.909,436 1.039,437 0.875,438 1.007,439 4.5,440 0.041,441 2.889,442 1.688,443 2.107,444 0.924,445 0.541,446 0.224,447 0.217,448 0.04,449 4497,450 13218,451 2.148,452 37.1,454 11,457 2,461 1.651,462 2,463 2.987,464 0.259,466 1,468 1,469 51.606,470 1.474,471 3.507,472 4.343,473 4.844,474 4.958,475 5.015,476 2.495,477 4.278,478 4.431,479 3.064,480 707.73,481 7.644,482 7269.74,483 1,484 1,485 1,486 1,487 179.525,488 1.437,489 4.388,490 0.18,491 0.021,492 0.078,493 0.041,494 0.057,495 0.029,496 0.023,497 0.014,498 0.022,499 0.007,500 0.471,501 0.67,502 1,503 0.797,504 97.679,505 -0.12,506 0.055,507 0.004,508 0.102,509 -0.222,510 0.082,511 -0.069,512 -0.069,513 0.045,514 0.002,515 0.006,516 0.036,517 -0.13,518 -0.109,519 -0.056,520 -0.041,521 -0.117,522 -0.036,523 0.064,524 -0.016,525 -0.099,526 -0.075,527 -0.005,528 -0.108,529 -0.003,530 -0.072,531 -0.082,532 -0.123,533 0.043,534 -0.119,535 -0.063,536 0.003,537 -0.144,538 -0.077,539 -0.017,540 -0.116,541 0.068,542 -0.059,543 -0.091,544 -0.086,545 -0.064,546 -0.114,547 0.059,548 -0.038,549 0.263,550 0.016,551 0.093,552 0.147,553 1.503,554 3.721,555 0.818,556 14.446,557 1.011,558 1.103,559 2.303,560 5.305,561 0.713,562 3.258,563 3.638,564 3.989,565 4.344,566 4.691,567 4.836,568 5.024,569 5.22,570 5.352,571 5.288,572 4.666,573 0.695,574 291.32,575 3.258,576 4.828,577 5.72,578 6.64,579 7.553,580 8.479,581 9.4,582 10.327,583 11.252,584 12.181,585 2.9,591 1,592 2,593 6,594 1,596 7,598 17,602 2,603 1,605 35,606 18,607 2,608 25,610 38,611 18,612 15,613 6,614 6,615 2,616 4,617 10,628 17,629 1,631 1,632 1,634 1,637 1,639 13,640 4,641 2,642 4,645 1,647 0.25,648 3,650 1,654 4,657 3,661 1,662 1,667 1,673 22,674 2,675 1,677 1,688 8.6,690 2,692 1,693 11,694 6.35,695 4.75,696 1.964,697 3.72,698 1.487,699 0.992,700 2.842,701 11.352,702 3.57,703 4.263,704 4.958,705 5.647,706 6.326,707 6.751,708 7.25,709 7.761,710 8.217,711 8.463,712 0.833,713 41,714 8.098,715 3.586,716 7.864,717 15.243,718 12.948,719 2.364,720 52,723 129.482,724 108.967,725 16.786,727 96.367,730 108.967,731 225.849,732 16.786,734 20.359,735 66.334,736 102.152,737 33.274,739 129.482,741 129.482,742 125.753,743 96.367,746 129.482,747 96.367,749 9.493,750 89.998,751 26.262,753 129.482,754 113.152,755 108.967,756 129.482,757 26.866,758 66.334,760 128.919,761 129.482,762 113.152,763 108.967,764 0.591,765 0.361,766 0.211,767 0.129,768 21,769 9,770 0.026,771 1,772 3,773 1.333,774 3.306,775 191.835,776 0.333,777 18,778 98.107,780 13.165,781 4.75,782 1.976,783 1.631,784 113.152,785 10.099,786 4.716,788 4.497,790 85.367,791 351.601,792 34.5,793 3.884,795 1.761,797 35.385,798 38.618,799 0.287,800 0.684,801 0.847,802 0.944,803 0.967,804 0.978,805 4.822,806 1.075,807 5.733,808 4.382,809 4.317,810 4.949,811 1.294,812 6.619,813 4.253,814 6.072,815 0.958,816 7.335,817 2.7,818 4.007,819 4.913,821 7.644,822 3.916,823 7.413,824 0.452,825 9.035,826 2.323,827 5.979,828 7.283,829 1.506,830 10.797,831 5.87,832 8.793,834 10.793,835 0.906,836 6.463,837 8.048,839 12.645,840 6.338,841 10.204,842 -0.229,843 12.589,845 7.933,846 9.91,847 1.731,848 15.335,849 7.79,850 11.637,851 -0.302,852 14.41,853 -0.58,854 8.792,855 11.06,857 17.529,858 8.636,859 13.089,860 -0.723,861 16.252,862 -0.658,863 10.069,864 12.715,865 1.968,866 20.062,867 9.897,868 3.312,869 -0.83,870 18.109,871 -2.055,872 11.105,873 14.055,875 22.403,876 10.917,877 2.917,878 11.785,879 19.978,880 -2.273,881 12.312,882 15.624,883 2.214,884 24.881,885 12.108,886 2.479,887 9.985,888 21.857,889 4.627,890 13.428,891 17.058,893 27.286,894 13.207,895 2.211,896 7.912,897 23.744,898 4.014,899 14.613,900 18.593,901 2.468,902 29.747,903 14.375,904 2.077,905 6.673,906 25.637,907 3.418,908 15.765,909 20.072,911 32.179,912 15.51,913 1.857,914 5.804,915 27.536,916 2.989,917 16.946,918 21.596,919 2.727,920 34.636,921 16.673,922 1.579,923 5.406,924 29.44,925 2.85,926 18.116,927 23.097,929 37.083,930 17.825,931 4298,932 7450,933 16.819,934 24.938,935 38.446,936 38.313,937 39.996,938 37.912,939 37.835,940 51.722,941 2.302,942 115.757,943 36.472,944 5.594,945 5.435,946 6.455,947 5.38,948 5.312,949 7.627,950 2.302,951 19.473,952 5.251,953 10.005,954 1.538,955 1.533,956 1.6,957 1.516,958 1.513,959 2.069,960 0.092,961 4.63,962 1.459,963 4.132,964 4.149,965 4.105,966 4.066,967 6.473,968 4.073,969 3.873,970 3.887,971 3.829,972 3.804,973 6.468,974 3.807,975 3.55,976 3.58,977 3.473,978 3.464,979 5.007,980 3.46,981 3.321,982 3.372,983 3.206,984 3.181,985 4.713,986 3.179,987 3.103,988 3.14,989 3.018,990 2.877,991 4.621,992 2.901,993 2.894,994 2.949,995 2.791,996 2.774,997 4.218,998 2.764,999 2.889,1000 2.917,1001 2.76,1002 2.727,1003 4.094,1004 2.734,1005 2.716,1006 2.776,1007 2.57,1008 2.58,1009 3.768,1010 2.57,1011 0.188,1012 0.137,1013 0.278,1014 0.172,1015 0.132,1016 4.71,1017 0.185,1018 3.435,1019 0.046,1020 6.95,1021 0.471,1022 4.294,1023 0.13,1024 3.312,1025 4.627,1026 1.151,1027 11.785,1028 3.251,1029 2.083,1030 2.067,1031 2.136,1032 2.162,1033 1.307,1034 2.154,1035 1.853,1036 1.839,1037 1.94,1038 1.946,1039 1.055,1040 1.943,1041 1.545,1042 1.514,1043 1.716,1044 1.669,1045 0.805,1046 1.683,1047 1.305,1048 1.256,1049 1.533,1050 1.494,1051 0.492,1052 1.509,1053 1.01,1054 0.969,1055 1.205,1056 1.275,1057 0.253,1058 1.248,1059 0.902,1060 0.85,1061 1.154,1062 1.084,1063 0.189,1064 1.104,1065 0.836,1066 0.802,1067 1.08,1068 1.061,1069 0.146,1070 1.059,1071 0.712,1072 0.662,1073 0.927,1074 0.923,1075 0.006,1076 0.941,1077 3.932,1078 5.293,1080 6.876,1082 8.567,1084 10.315,1089 19.316,1090 0.353,1092 5.742,1100 24.327,1101 51.606,1102 122.731,1103 152.015,1104 169.525,1105 173.525,1106 175.525,1107 31.736,1108 7.632,1109 62.58,1110 62.58,1111 24,1112 12.684,1113 4.248,1114 3.392,1115 29.688,1116 63,1117 64,1118 0.249,1119 146.295,1120 251.43,1121 348.721,1122 19794,1124 15.267,1125 0.694,1126 0.532,1127 15.267,1128 11.706,1129 10.669,1130 0.427,1131 0.277,1132 6.835,1133 10.341,1134 6.692,1135 5.507,1136 10.669,1137 6.914,1138 9.897,1139 0.267,1140 0.141,1141 9.897,1142 5.227,1143 8.731,1144 0.165,1145 0.074,1146 8.731,1147 3.91,1148 7.814,1149 0.103,1150 0.038,1151 7.814,1152 2.893,1153 7.064,1154 0.065,1155 0.02,1156 7.064,1157 2.117,1158 0.369,1159 66.485,1160 0.244,1161 20.89,1162 0.753,1163 124,1164 357.68,1165 133.804,1166 348.466,1167 484.68,1168 326,1169 152,1170 366.332,1171 161.807,1172 372.472,1173 552.5,1174 352,1175 6.279}
{0 CHEMBL250301,1 1.473,2 8.136,3 4.293,4 18.426,5 81.253,6 8.767,7 0.68,8 3.653,9 3.719,10 3.355,11 3.29,12 4.949,13 3.3,14 4.1,15 4.183,16 3.753,17 3.68,18 5.362,19 3.688,20 4.36,21 4.47,22 3.88,23 3.835,24 5.614,25 3.831,26 4.417,27 4.566,28 3.811,29 3.806,30 5.678,31 3.778,32 4.31,33 4.462,34 3.669,35 3.709,36 5.603,37 3.668,38 4.223,39 4.395,40 3.424,41 3.533,42 5.502,43 3.469,44 4.039,45 4.231,46 3.086,47 3.259,48 5.276,49 3.167,50 3.711,51 3.942,52 2.667,53 2.814,54 4.9,55 2.721,56 0.084,57 0.382,58 4.62,59 2.756,60 16.891,61 2.659,62 0.118,63 0.616,64 7.666,65 4.414,66 12.592,67 4.46,68 0.221,69 0.83,70 11.399,71 5.825,72 32.9,73 5.816,74 0.371,75 0.928,76 13.859,77 6.317,78 43.454,79 6.919,80 0.221,81 0.806,82 12.319,83 6.018,84 41.993,85 6.869,86 0.261,87 0.736,88 12.576,89 5.754,90 46.63,91 6.546,92 0.293,93 0.608,94 11.525,95 5.028,96 41.917,97 5.886,98 0.149,99 0.443,100 9.509,101 3.887,102 24.23,103 4.879,104 11,105 37,106 0.266,107 0.682,108 0.771,109 0.867,110 0.889,111 0.9,112 3.149,113 0.811,114 -3.53,115 -3.51,116 -3.35,118 54.5,124 1,133 1,134 1,135 6,136 4,137 3,139 2,146 8,148 7,150 4,151 11,153 6,155 3,156 10,157 1,158 6,159 1,161 2,162 10,164 3,165 1,166 2,167 11,169 1,170 1,171 2,172 10,174 1,175 1,176 2,177 6,181 4,187 5,189 516,190 15.041,191 15.041,192 15.041,193 15.041,194 15.041,195 12.924,196 13.249,197 8.573,198 15.283,199 12.285,200 12.285,201 12.285,202 12.285,203 12.285,204 8.917,205 12.405,206 3.988,207 12.714,208 3.572,209 1.266,210 0.773,211 0.242,212 0.121,213 0.061,214 3.849,217 1,218 1,219 396,220 2.345,222 132.49,225 163.065,226 1.252,227 25.989,229 1,230 1,231 0.83,232 1,233 0.4,235 1,236 1,237 0.75,238 47.5,239 179,240 4.72,241 3.505,242 6.95,243 4.294,244 3.312,245 4.636,246 1.151,247 11.785,248 3.251,249 4.324,250 3.101,251 6.449,252 3.895,253 2.917,254 4.014,256 9.985,257 2.851,258 3.905,259 2.7,260 5.829,261 3.455,262 2.479,263 3.43,265 7.912,266 2.416,267 3.674,268 2.489,269 5.372,270 3.175,271 2.211,272 3.022,274 6.673,275 2.124,276 3.478,277 2.338,278 4.957,279 3.024,280 2.077,281 2.85,283 5.804,284 1.958,285 3.263,286 2.176,287 4.884,288 2.793,289 1.857,290 2.479,292 5.406,293 1.732,294 3.122,295 1.976,296 4.529,297 2.534,298 1.579,299 2.04,301 4.382,302 1.497,303 2.894,304 1.276,305 3.881,306 2.072,307 1.075,308 1.678,309 2.7,310 1.071,311 2.436,312 1.102,313 3.662,314 1.919,315 0.958,316 1.301,317 2.323,318 0.914,319 2.02,320 0.687,321 3.084,322 1.397,323 0.452,324 0.683,325 0.906,326 0.424,327 1.454,328 0.283,329 2.835,330 0.939,335 1.166,336 0.038,337 2.563,338 0.72,339 -0.229,340 -0.305,341 -0.58,342 -0.215,343 1.07,344 -0.055,345 2.444,346 0.642,347 -0.302,348 -0.432,349 -0.658,350 -0.284,351 0.669,352 -0.389,353 2.362,354 0.229,355 -0.723,356 -0.937,357 -2.055,358 -0.672,359 0.596,360 -0.592,361 2.325,362 0.121,363 -0.83,364 -1.09,365 -2.273,366 -0.77,367 10.4,368 0.473,369 0.589,370 0.027,371 33.5,372 1.523,373 19.5,374 0.886,375 14,376 0.636,377 13.4,378 0.609,379 21.4,380 0.648,381 23.628,382 1.074,383 6.688,384 0.304,385 3.981,386 0.181,387 0.112,389 0.433,391 0.953,392 0.858,393 0.691,394 0.758,395 1.013,396 0.688,397 0.9,398 1.019,399 0.714,400 0.89,401 0.605,402 0.79,403 1.083,404 1.107,405 0.933,406 0.964,407 0.967,408 0.924,409 0.835,410 0.987,411 0.982,412 0.94,413 0.769,414 0.97,415 0.781,416 1.048,417 0.974,418 1.078,419 0.726,420 1.071,421 0.939,422 0.98,423 1.134,424 1.096,425 0.899,426 1.147,427 0.895,428 0.999,429 1.202,430 1.131,431 1.16,432 1.216,433 0.946,434 1.004,435 0.999,436 1.109,437 1.009,438 1.083,439 4.5,440 0.041,441 2.889,442 1.688,443 2.107,444 0.924,445 0.541,446 0.224,447 0.217,448 0.04,449 4497,450 13953,451 2.148,452 33.3,454 8,455 1,457 2,461 1.651,462 2,463 2.987,464 0.259,466 1,469 48.598,470 1.473,471 3.779,472 4.271,473 4.802,474 4.923,475 4.984,476 2.495,477 4.278,478 4.431,479 3.064,480 707.73,481 7.644,482 7269.74,484 1,486 1,487 166.465,488 1.437,489 4.388,490 0.18,491 0.021,492 0.078,493 0.041,494 0.057,495 0.029,496 0.023,497 0.014,498 0.022,499 0.007,500 0.471,501 0.67,502 1,503 0.797,504 97.679,505 -0.133,506 0.063,507 -0.01,508 0.112,509 -0.207,510 0.086,511 -0.088,512 -0.079,513 0.015,514 -0.011,515 -0.004,516 0.015,517 -0.156,518 -0.125,519 -0.11,520 -0.064,521 -0.145,522 -0.076,523 0.059,524 0.051,525 -0.062,526 -0.011,527 -0.019,528 -0.047,529 0.014,530 -0.08,531 -0.053,532 -0.124,533 0.054,534 -0.109,535 -0.029,536 -0.022,537 -0.124,538 -0.103,539 0.03,540 -0.128,541 0.081,542 -0.059,543 -0.102,544 -0.095,545 -0.097,546 -0.129,547 0.022,548 -0.066,549 0.232,550 -0.016,551 0.059,552 0.116,553 1.523,554 3.687,555 0.818,556 14.446,557 1.015,558 1.097,559 2.303,560 5.305,561 0.733,562 3.258,563 3.638,564 3.989,565 4.344,566 4.691,567 4.836,568 5.024,569 5.22,570 5.352,571 5.288,572 4.666,573 0.721,574 289.3,575 3.258,576 4.828,577 5.72,578 6.64,579 7.553,580 8.479,581 9.4,582 10.327,583 11.252,584 12.181,585 3,591 1,592 2,593 6,594 1,596 7,598 17,602 2,603 1,605 33,606 18,607 2,608 25,610 36,611 18,612 15,613 6,614 6,616 4,617 10,627 2,628 15,629 1,637 1,639 11,640 4,641 2,642 4,645 1,647 0.25,648 3,650 1,654 4,657 3,658 1,659 1,667 1,673 22,674 2,675 1,677 1,682 1,683 1,686 1,688 9.1,690 2,692 1,693 11,694 6.1,695 4.75,696 1.86,697 3.796,698 1.497,699 0.995,700 2.75,701 11.428,702 3.597,703 4.277,704 4.978,705 5.675,706 6.357,707 6.788,708 7.292,709 7.805,710 8.255,711 8.507,712 0.833,713 41,714 8.084,715 3.597,716 7.932,717 15.091,718 12.798,719 2.432,720 53.5,723 105.94,724 124.076,725 16.786,727 96.367,730 124.076,731 202.306,732 16.786,734 4.592,735 56.857,736 102.152,737 33.274,738 52.123,739 94.169,741 105.94,742 140.861,743 96.367,746 105.94,747 96.367,749 9.493,750 97.552,751 33.816,753 105.94,754 113.152,755 124.076,756 105.94,757 26.866,758 56.857,759 17.031,760 136.473,761 105.94,762 113.152,763 124.076,764 0.591,765 0.361,766 0.211,767 0.129,768 21,769 9,772 3,773 1.333,774 3.306,775 191.835,776 0.333,777 18,778 98.107,780 12.996,781 4.655,782 1.928,783 1.442,784 113.152,785 9.86,786 4.668,788 3.922,790 85.367,791 343.168,792 35.5,797 33.502,798 36.203,799 0.292,800 0.749,801 0.847,802 0.952,803 0.976,804 0.988,805 4.862,806 1.075,807 5.733,808 4.382,809 4.317,810 4.963,811 1.294,812 6.619,813 4.253,814 6.121,815 0.958,816 7.335,817 2.7,818 4.007,819 4.913,821 7.644,822 3.916,823 7.466,824 0.452,825 9.035,826 2.323,827 5.979,828 7.298,829 1.506,830 10.797,831 5.87,832 8.845,834 10.793,835 0.906,836 6.463,837 8.055,839 12.645,840 6.338,841 10.253,842 -0.229,843 12.589,845 7.933,846 9.925,847 1.731,848 15.335,849 7.79,850 11.684,851 -0.302,852 14.41,853 -0.58,854 8.792,855 11.072,857 17.529,858 8.636,859 13.133,860 -0.723,861 16.252,862 -0.658,863 10.069,864 12.731,865 1.968,866 20.062,867 9.897,868 3.312,869 -0.83,870 18.109,871 -2.055,872 11.105,873 14.072,875 22.403,876 10.917,877 2.917,878 11.785,879 19.978,880 -2.273,881 12.312,882 15.643,883 2.214,884 24.881,885 12.108,886 2.479,887 9.985,888 21.857,889 4.636,890 13.428,891 17.078,893 27.286,894 13.207,895 2.211,896 7.912,897 23.744,898 4.014,899 14.613,900 18.615,901 2.468,902 29.747,903 14.375,904 2.077,905 6.673,906 25.637,907 3.43,908 15.765,909 20.096,911 32.179,912 15.51,913 1.857,914 5.804,915 27.536,916 3.022,917 16.946,918 21.622,919 2.727,920 34.636,921 16.673,922 1.579,923 5.406,924 29.44,925 2.85,926 18.116,927 23.125,929 37.083,930 17.825,931 4298,932 7650,933 16.819,934 24.176,935 39.341,936 38.626,937 39.996,938 37.912,939 37.835,940 52.264,941 2.302,942 115.757,943 36.472,944 5.604,945 5.505,946 6.455,947 5.38,948 5.312,949 7.636,950 2.302,951 19.473,952 5.251,953 10.005,954 1.574,955 1.545,956 1.6,957 1.516,958 1.513,959 2.091,960 0.092,961 4.63,962 1.459,963 4.128,964 4.144,965 4.104,966 4.063,967 6.474,968 4.071,969 3.873,970 3.886,971 3.829,972 3.804,973 6.468,974 3.807,975 3.528,976 3.55,977 3.467,978 3.449,979 5.447,980 3.449,981 3.234,982 3.263,983 3.174,984 3.13,985 4.946,986 3.136,987 3.103,988 3.14,989 3.018,990 2.876,991 4.674,992 2.901,993 2.893,994 2.932,995 2.787,996 2.748,997 4.221,998 2.74,999 2.842,1000 2.885,1001 2.73,1002 2.72,1003 4.095,1004 2.725,1005 2.716,1006 2.775,1007 2.57,1008 2.579,1009 3.786,1010 2.569,1011 0.189,1012 0.14,1013 0.278,1014 0.172,1015 0.132,1016 4.72,1017 0.185,1018 3.505,1019 0.046,1020 6.95,1021 0.471,1022 4.294,1023 0.13,1024 3.312,1025 4.636,1026 1.151,1027 11.785,1028 3.251,1029 2.078,1030 2.064,1031 2.126,1032 2.157,1033 1.291,1034 2.148,1035 1.852,1036 1.838,1037 1.938,1038 1.945,1039 1.053,1040 1.941,1041 1.512,1042 1.491,1043 1.642,1044 1.631,1045 0.792,1046 1.632,1047 1.209,1048 1.18,1049 1.38,1050 1.351,1051 0.347,1052 1.359,1053 1.01,1054 0.969,1055 1.197,1056 1.27,1057 0.225,1058 1.243,1059 0.872,1060 0.823,1061 1.126,1062 1.082,1063 0.148,1064 1.085,1065 0.822,1066 0.787,1067 1.069,1068 1.009,1069 0.026,1070 1.03,1071 0.709,1072 0.66,1073 0.919,1074 0.923,1076 0.937,1077 3.932,1078 5.293,1080 6.876,1082 8.567,1084 10.315,1089 19.266,1090 0.282,1092 5.694,1097 5.679,1099 2.687,1100 23.8,1101 48.598,1102 124.691,1103 140.955,1104 158.465,1105 162.465,1106 164.465,1107 33.09,1108 7.632,1109 62.58,1110 62.58,1111 24,1112 12.684,1113 4.248,1114 3.524,1115 29.688,1116 63,1117 64,1118 0.249,1119 143.368,1120 248.79,1121 341.578,1122 19794,1124 15.267,1125 0.694,1126 0.523,1127 15.267,1128 11.498,1129 10.669,1130 0.427,1131 0.27,1132 6.677,1133 10.341,1134 6.544,1135 5.375,1136 10.669,1137 6.756,1138 9.897,1139 0.267,1140 0.139,1141 9.897,1142 5.129,1143 8.731,1144 0.165,1145 0.072,1146 8.731,1147 3.806,1148 7.814,1149 0.103,1150 0.037,1151 7.814,1152 2.795,1153 7.064,1154 0.065,1155 0.019,1156 7.064,1157 2.049,1158 0.369,1159 66.485,1160 0.244,1161 20.89,1162 0.753,1163 124,1164 369.68,1165 133.804,1166 362.354,1167 501.11,1168 338,1169 152,1170 376.332,1171 161.807,1172 383.801,1173 567.29,1174 362,1175 6.205}
{0 CHEMBL250302,1 1.549,2 8.556,3 5.348,4 28.604,5 103.091,6 9.166,7 0.742,8 3.865,9 3.931,10 3.607,11 3.533,12 5.087,13 3.526,14 4.337,15 4.422,16 4.028,17 3.947,18 5.563,19 3.932,20 4.609,21 4.73,22 4.137,23 4.102,24 5.792,25 4.067,26 4.652,27 4.802,28 4.11,29 4.094,30 5.799,31 4.047,32 4.644,33 4.782,34 4.122,35 4.124,36 5.778,37 4.074,38 4.724,39 4.879,40 4.149,41 4.123,42 5.887,43 4.059,44 4.677,45 4.846,46 4.041,47 3.979,48 5.897,49 3.891,50 4.415,51 4.627,52 3.652,53 3.637,54 5.587,55 3.52,56 0.089,57 0.466,58 5.296,59 3.367,60 13.142,61 3.494,62 0.13,63 0.767,64 9.305,65 5.607,66 12.908,67 6.045,68 0.281,69 1.04,70 17.084,71 7.856,72 35.832,73 8.416,74 0.417,75 1.141,76 18.48,77 8.307,78 42.367,79 9.466,80 0.266,81 1.094,82 17.059,83 8.366,84 30.938,85 9.698,86 0.357,87 1.192,88 19.989,89 9.382,90 42.595,91 10.644,92 0.584,93 1.102,94 26.213,95 9.585,96 59.6,97 10.726,98 0.37,99 0.872,100 21.412,101 8.006,102 43.562,103 9.655,104 10,105 46,106 0.266,107 0.577,108 0.731,109 0.879,110 0.904,111 0.912,112 3.342,113 0.857,114 -4.5,115 -4.43,116 -4.17,118 53.7,124 1,135 10,136 5,137 4,139 2,146 11,148 7,150 4,151 18,153 6,155 3,156 17,157 1,158 6,159 1,161 2,162 16,164 5,165 1,166 2,167 18,169 3,170 1,171 3,172 16,174 5,175 1,176 3,177 14,181 6,182 6,187 6,188 4,189 1023,190 18.394,191 18.394,192 18.394,193 18.394,194 18.394,195 15.656,196 13.459,197 10.596,198 18.773,199 15.34,200 15.34,201 15.34,202 15.34,203 15.34,204 11.155,205 13.442,206 5.081,207 16.037,208 3.809,209 1.999,210 1.103,211 0.244,212 0.098,213 0.049,214 4.056,215 1,217 1,218 1,219 516,220 2.345,222 225.098,225 209.051,226 1.35,227 28.312,230 1,231 1,232 1,233 0.4,235 1,236 1,237 0.77,238 57.833,239 231,240 4.751,241 3.467,242 7.066,243 4.344,244 3.36,245 4.666,246 1.151,247 12.231,248 3.309,249 4.338,250 3.099,251 6.526,252 3.935,253 2.958,254 4.019,256 10.253,257 2.888,258 4.067,259 2.919,260 5.923,261 3.608,262 2.64,263 3.71,265 8.287,266 2.555,267 3.832,268 2.684,269 5.647,270 3.391,271 2.432,272 3.355,274 7.465,275 2.323,276 3.574,277 2.472,278 5.178,279 3.13,280 2.2,281 2.97,283 6.291,284 2.024,285 3.476,286 2.34,287 4.957,288 3.024,289 2.081,290 2.85,292 5.805,293 1.952,294 3.236,295 2.18,296 4.903,297 2.815,298 1.875,299 2.496,301 5.478,302 1.739,303 3.043,304 2.07,305 4.68,306 2.645,307 1.717,308 2.25,309 4.83,310 1.556,311 2.891,312 1.578,313 4.45,314 2.44,315 1.473,316 2.033,317 4.151,318 1.401,319 2.653,320 1.214,321 3.803,322 2.161,323 1.175,324 1.725,325 2.637,326 1.139,327 2.419,328 1.105,329 3.555,330 1.961,331 0.99,332 1.386,333 2.528,334 0.957,335 1.989,336 0.836,337 3.441,338 1.62,339 0.672,340 0.867,341 1.734,342 0.631,343 1.437,344 0.307,345 3.032,346 1.028,347 0.081,348 0.105,349 0.212,350 0.076,351 1.167,352 0.211,353 2.833,354 0.783,355 -0.157,356 -0.193,357 -0.439,358 -0.146,359 1.074,360 0.132,361 2.527,362 0.679,363 -0.256,364 -0.327,365 -0.627,366 -0.235,367 13.114,368 0.486,369 0.747,370 0.028,371 40.75,372 1.509,373 23.5,374 0.87,375 17.25,376 0.639,377 19.232,378 0.712,379 26.486,380 0.646,381 30.351,382 1.124,383 8.014,384 0.297,385 5.084,386 0.188,387 0.105,389 0.419,391 0.865,392 0.861,393 0.571,394 0.718,395 0.95,396 0.685,397 0.824,398 1.035,399 0.639,400 0.863,401 0.591,402 0.816,403 1.035,404 1.087,405 0.958,406 0.983,407 0.979,408 0.963,409 0.79,410 0.954,411 0.822,412 0.884,413 0.719,414 0.921,415 0.753,416 1.04,417 0.812,418 0.998,419 0.612,420 0.999,421 0.95,422 1.054,423 0.881,424 0.999,425 0.828,426 1.038,427 1.043,428 1.022,429 1.302,430 1.156,431 1.087,432 1.159,433 0.931,434 0.979,435 1.068,436 1.068,437 0.949,438 1.076,439 5.5,440 0.095,441 3.111,442 2.063,443 2.289,444 1.111,445 0.887,446 0.448,447 0.368,448 0.113,449 7941,450 24722,451 2.184,452 34.1,454 12,457 2,461 1.711,462 2.051,463 3.061,464 0.194,469 63.494,470 1.549,471 3.359,472 4.255,473 5.114,474 5.26,475 5.309,476 2.552,477 4.533,478 4.725,479 3.197,480 1122.15,481 8.258,482 13477.5,487 219.66,488 1.388,489 4.691,490 0.177,491 0.016,492 0.068,493 0.041,494 0.048,495 0.023,496 0.019,497 0.012,498 0.016,499 0.009,500 0.429,501 0.33,502 0.88,503 0.528,504 128.905,505 -0.107,506 0.071,507 -0.007,508 0.101,509 -0.185,510 0.08,511 -0.068,512 -0.089,513 0.002,514 -0.02,515 0.021,516 -0.011,517 -0.143,518 -0.104,519 -0.132,520 -0.082,521 -0.136,522 -0.087,523 0.047,524 0.078,525 -0.024,526 0.033,527 -0.001,528 0.003,529 -0.002,530 -0.065,531 -0.042,532 -0.085,533 0.019,534 -0.078,535 -0.044,536 -0.072,538 -0.043,539 -0.012,540 -0.074,541 0.061,542 -0.056,543 -0.076,544 -0.123,545 -0.037,546 -0.132,547 0.06,548 -0.022,549 0.144,550 0.021,551 0.097,552 0.064,553 1.516,554 4.036,555 0.889,556 20.831,557 1.014,558 1.097,559 3.273,560 10.715,561 0.745,562 3.466,563 3.85,564 4.19,565 4.564,566 4.934,567 5.118,568 5.352,569 5.595,570 5.771,571 5.799,572 5.22,573 0.724,574 375.82,575 3.466,576 5.043,577 5.932,578 6.853,579 7.766,580 8.696,581 9.619,582 10.553,583 11.483,584 12.419,585 2.4,591 1,592 2,593 10,594 1,596 9,598 23,602 2,603 1,604 1,605 41,606 23,607 3,608 31,610 45,611 22,612 21,613 8,614 10,616 5,617 11,618 1,628 21,629 1,639 14,640 4,641 2,642 5,643 1,645 1,647 0.4,648 3,650 1,654 5,657 3,667 2,671 1,673 27,674 2,675 1,677 1,687 1,688 7.3,690 2,692 1,693 13.167,694 7.493,695 5.694,696 2.368,697 4.587,698 1.554,699 1.02,700 3.742,701 12.865,702 3.773,703 4.483,704 5.162,705 5.861,706 6.56,707 7.007,708 7.556,709 8.118,710 8.619,711 8.961,712 0.833,713 50,714 9.955,715 4.447,716 7.813,717 18.83,718 16.165,719 2.313,720 62.444,723 141.253,724 128.315,725 16.786,726 39.149,727 96.367,730 128.315,731 276.768,732 16.786,734 4.592,735 94.762,736 102.152,737 39.96,739 141.253,740 39.149,741 141.253,742 145.101,743 96.367,744 39.149,746 141.253,747 96.367,749 9.493,750 118.822,751 55.934,753 141.253,754 113.152,755 167.464,756 141.253,757 33.553,758 94.762,760 152.301,761 141.253,762 113.152,763 167.464,764 0.594,765 0.349,766 0.203,767 0.127,768 26,769 11,770 0.022,771 1,772 3,773 1.25,774 3.725,775 262.422,776 0.25,777 24,778 128.382,780 16.423,781 6.152,782 2.708,783 1.601,784 113.152,785 17.773,786 4.831,788 5.992,790 85.367,791 421.869,792 42.5,797 41.593,798 44.977,799 0.289,800 0.627,801 0.794,802 0.954,803 0.982,804 0.991,805 5.029,806 1.717,807 5.943,808 5.478,809 4.533,810 5.17,811 1.294,812 6.821,813 4.453,814 6.28,815 1.473,816 7.536,817 4.83,818 4.205,819 5.094,821 7.828,822 4.071,823 7.619,824 1.175,825 9.229,826 4.151,827 6.184,828 7.488,829 1.506,830 10.997,831 6.059,832 8.995,833 0.99,834 10.981,835 2.637,836 6.648,837 8.204,839 12.857,840 6.493,841 10.4,842 0.672,843 12.773,844 2.528,845 8.128,846 10.089,847 1.731,848 15.567,849 7.974,850 11.828,851 0.081,852 14.594,853 1.734,854 8.974,855 11.202,857 17.794,858 8.805,859 13.275,860 -0.157,861 16.437,862 0.212,863 10.26,864 12.871,865 1.968,866 20.351,867 10.085,868 3.36,869 -0.256,870 18.298,871 -0.439,872 11.292,873 14.189,875 22.732,876 11.106,877 2.958,878 12.231,879 20.173,880 -0.627,881 12.506,882 15.766,883 2.214,884 25.239,885 12.311,886 2.64,887 10.253,888 22.06,889 4.666,890 13.625,891 17.189,893 27.684,894 13.419,895 2.432,896 8.287,897 23.956,898 4.019,899 14.817,900 18.729,901 2.468,902 30.178,903 14.601,904 2.2,905 7.465,906 25.861,907 3.71,908 15.977,909 20.205,911 32.651,912 15.749,913 2.081,914 6.291,915 27.772,916 3.355,917 17.167,918 21.734,919 2.727,920 35.144,921 16.927,922 1.875,923 5.805,924 29.688,925 2.97,926 18.346,927 23.236,929 37.63,930 18.094,931 7401,932 13156,933 21.096,934 30.557,935 47.767,936 47.832,937 49.164,938 47.549,939 47.308,940 64.864,941 2.302,942 143.806,943 45.1,944 5.637,945 5.467,946 6.618,947 5.431,948 5.36,949 7.666,950 2.302,951 19.931,952 5.309,953 11.559,954 1.541,955 1.543,956 1.586,957 1.534,958 1.526,959 2.092,960 0.074,961 4.639,962 1.455,963 4.15,964 4.165,965 4.138,966 4.091,967 6.474,968 4.097,969 3.888,970 3.901,971 3.943,972 3.825,973 6.468,974 3.825,975 3.828,976 3.85,977 3.824,978 3.771,979 5.017,980 3.766,981 3.483,982 3.507,983 3.453,984 3.383,985 4.898,986 3.386,987 3.104,988 3.14,989 3.274,990 2.94,991 4.679,992 2.943,993 3.039,994 3.069,995 3.019,996 2.873,997 4.328,998 2.897,999 2.893,1000 2.927,1001 2.93,1002 2.792,1003 4.216,1004 2.765,1005 2.878,1006 2.921,1007 2.784,1008 2.731,1009 4.095,1010 2.736,1011 0.153,1012 0.112,1013 0.228,1014 0.14,1015 0.108,1016 4.751,1017 0.151,1018 3.467,1019 0.037,1020 7.066,1021 0.395,1022 4.344,1023 0.107,1024 3.36,1025 4.666,1026 1.151,1027 12.231,1028 3.309,1029 2.099,1030 2.086,1031 2.147,1032 2.172,1033 1.336,1034 2.165,1035 1.871,1036 1.856,1037 1.956,1038 1.957,1039 1.073,1040 1.957,1041 1.817,1042 1.798,1043 1.912,1044 1.898,1045 1.006,1046 1.909,1047 1.453,1048 1.429,1049 1.602,1050 1.597,1051 0.78,1052 1.597,1053 1.017,1054 0.984,1055 1.237,1056 1.279,1057 0.368,1058 1.254,1059 1.009,1060 0.969,1061 1.184,1062 1.16,1063 0.232,1064 1.174,1065 0.868,1066 0.824,1067 1.104,1068 1.082,1069 0.167,1070 1.075,1071 0.848,1072 0.81,1073 1.078,1074 1.012,1075 0.148,1076 1.054,1077 4.143,1078 5.509,1080 7.088,1082 8.77,1084 10.51,1087 6.235,1089 19.795,1090 0.312,1092 5.907,1100 29.681,1101 63.494,1102 137.711,1103 174.44,1104 209.66,1105 215.66,1106 217.66,1107 40.082,1108 8.277,1109 62.58,1110 62.58,1111 30,1112 12.918,1113 4.585,1114 3.644,1115 35.346,1116 83,1117 95,1118 0.212,1119 179.75,1120 307.3,1121 430.349,1122 44689,1123 2.4,1124 18.543,1125 0.687,1126 0.551,1127 19.043,1128 14.864,1129 13.097,1130 0.422,1131 0.286,1132 8.428,1133 12.461,1134 8.228,1135 6.737,1136 13.386,1137 8.855,1138 12.434,1139 0.27,1140 0.151,1141 12.843,1142 6.931,1143 10.669,1144 0.164,1145 0.077,1146 10.932,1147 5.01,1148 9.632,1149 0.101,1150 0.04,1151 9.885,1152 3.794,1153 8.785,1154 0.064,1155 0.021,1156 8.981,1157 2.835,1158 0.315,1159 84.231,1160 0.218,1161 24.916,1162 0.643,1163 154,1164 439.883,1165 179.324,1166 460.379,1167 630.09,1168 430,1169 188,1170 451.195,1171 207.565,1172 469.661,1173 695.98,1174 444,1175 6.298}
{0 CHEMBL250505,1 1.549,2 9,3 5.348,4 28.604,5 103.091,6 9.166,7 0.742,8 3.865,9 3.931,10 3.607,11 3.533,12 5.087,13 3.526,14 4.337,15 4.422,16 4.028,17 3.947,18 5.562,19 3.932,20 4.609,21 4.73,22 4.137,23 4.102,24 5.796,25 4.067,26 4.652,27 4.801,28 4.066,29 4.086,30 5.792,31 4.037,32 4.638,33 4.783,34 4.071,35 4.105,36 5.755,37 4.056,38 4.718,39 4.88,40 4.055,41 4.095,42 5.864,43 4.03,44 4.664,45 4.848,46 3.949,47 3.96,48 5.824,49 3.87,50 4.427,51 4.625,52 3.747,53 3.667,54 5.605,55 3.551,56 0.089,57 0.466,58 5.296,59 3.367,60 13.142,61 3.494,62 0.13,63 0.767,64 9.305,65 5.607,66 12.905,67 6.045,68 0.281,69 1.04,70 17.084,71 7.856,72 35.792,73 8.416,74 0.427,75 1.141,76 19.147,77 8.322,78 43.308,79 9.449,80 0.251,81 1.105,82 15.677,83 8.286,84 29.439,85 9.767,86 0.351,87 1.203,88 19.274,89 9.316,90 41.593,91 10.695,92 0.466,93 1.132,94 22.027,95 9.424,96 52.716,97 10.834,98 0.422,99 0.849,100 24.07,101 8.115,102 44.314,103 9.566,104 10,105 46,106 0.266,107 0.577,108 0.711,109 0.842,110 0.87,111 0.879,112 3.342,113 0.857,114 -4.5,115 -4.43,116 -4.17,118 53.7,124 1,135 10,136 5,137 4,139 2,146 11,148 7,150 4,151 18,153 6,155 3,156 18,157 1,158 6,159 1,161 2,162 16,164 5,165 1,166 2,167 16,169 5,170 1,171 3,172 18,174 1,175 1,176 4,177 13,179 2,181 4,182 6,187 7,188 2,189 1036,190 18.394,191 18.394,192 18.394,193 18.394,194 18.394,195 15.656,196 13.459,197 10.559,198 18.773,199 15.323,200 15.323,201 15.323,202 15.323,203 15.323,204 11.149,205 13.442,206 5.062,207 16.029,208 3.809,209 1.999,210 1.219,211 0.457,212 0.293,213 0.244,214 4.056,215 1,217 1,218 1,219 543,220 2.345,222 226.995,225 211.644,226 1.259,227 27.965,230 1,231 1,232 1,233 0.4,235 1,236 1,237 0.77,238 57.833,239 243,240 4.75,241 3.465,242 7.065,243 4.343,244 3.358,245 4.665,246 1.151,247 12.224,248 3.309,249 4.336,250 3.088,251 6.525,252 3.933,253 2.955,254 4.018,256 10.245,257 2.887,258 4.048,259 2.913,260 5.916,261 3.594,262 2.622,263 3.685,265 8.244,266 2.55,267 3.833,268 2.691,269 5.63,270 3.388,271 2.431,272 3.357,274 7.394,275 2.321,276 3.61,277 2.494,278 5.135,279 3.159,280 2.237,281 3.015,283 6.217,284 2.032,285 3.477,286 2.348,287 4.958,288 3.028,289 2.084,290 2.85,292 5.805,293 1.954,294 3.252,295 2.185,296 4.927,297 2.834,298 1.888,299 2.516,301 5.557,302 1.754,303 3.087,304 2.094,305 4.748,306 2.679,307 1.751,308 2.315,309 5.007,310 1.588,311 2.892,312 1.574,313 4.47,314 2.45,315 1.479,316 2.033,317 4.199,318 1.419,319 2.5,320 1.108,321 3.806,322 2,323 1,324 1.5,325 2.569,326 1,327 2.43,328 1,329 3.534,330 1.966,331 0.993,332 1.401,333 2.275,334 0.961,335 2.011,336 0.905,337 3.414,338 1.656,339 0.715,340 0.904,341 1.83,342 0.661,343 1.483,344 0.479,345 3.039,346 1.069,347 0.14,348 0.18,349 0.357,350 0.124,351 1.2,352 0.283,353 2.833,354 0.821,355 -0.09,356 -0.109,357 -0.222,358 -0.076,359 1.101,360 0.044,361 2.529,362 0.688,363 -0.246,364 -0.317,365 -0.618,366 -0.224,367 13.114,368 0.486,369 0.747,370 0.028,371 40.75,372 1.509,373 23.5,374 0.87,375 17.25,376 0.639,377 19.088,378 0.707,379 26.486,380 0.646,381 30.293,382 1.122,383 8.014,384 0.297,385 5.084,386 0.188,387 0.105,389 0.419,391 0.865,392 0.861,393 0.571,394 0.718,395 0.95,396 0.685,397 0.824,398 1.035,399 0.639,400 0.863,401 0.592,402 0.816,403 1.035,404 1.087,405 0.958,406 0.983,407 0.968,408 0.963,409 0.807,410 0.964,411 0.899,412 0.939,413 0.744,414 0.972,415 0.679,416 1.047,417 0.65,418 0.977,419 0.557,420 0.993,421 0.896,422 1.07,423 0.801,424 1.03,425 0.793,426 1.079,427 1.015,428 1.002,429 0.949,430 0.979,431 1.029,432 1.062,433 1.024,434 0.989,435 1.402,436 1.184,437 1.121,438 1.14,439 5.5,440 0.074,441 3.333,442 1.938,443 2.369,444 1.111,445 0.943,446 0.477,447 0.397,448 0.174,449 8037,450 25346,451 2.184,452 34.1,454 12,457 2,461 1.71,462 2.051,463 3.116,464 0.194,469 63.494,470 1.549,471 3.359,472 4.139,473 4.9,474 5.065,475 5.114,476 2.63,477 4.18,478 4.723,479 3.237,480 1136.03,481 8.252,482 13633,487 219.66,488 1.388,489 4.691,490 0.177,491 0.011,492 0.072,493 0.039,494 0.05,495 0.023,496 0.021,497 0.014,498 0.017,499 0.012,500 0.436,501 0.33,502 0.88,503 0.528,504 129.204,505 -0.107,506 0.071,507 -0.007,508 0.101,509 -0.185,510 0.08,511 -0.068,512 -0.089,513 0.002,514 -0.02,515 0.019,516 -0.011,517 -0.143,518 -0.104,519 -0.132,520 -0.082,521 -0.126,522 -0.087,523 0.03,524 0.068,525 -0.102,526 -0.023,527 -0.027,528 -0.048,529 0.023,530 -0.064,531 -0.004,532 -0.075,533 0.043,534 -0.065,535 -0.036,536 -0.081,537 -0.037,538 -0.086,539 -0.006,540 -0.11,541 -0.011,542 -0.02,543 0.033,544 0.036,545 -0.041,546 -0.019,547 0.06,548 -0.048,549 0.042,550 -0.076,551 -0.02,552 -0.014,553 1.513,554 4.03,555 0.889,556 21.55,557 1.014,558 1.097,559 3.273,560 10.715,561 0.745,562 3.466,563 3.85,564 4.19,565 4.554,566 4.934,567 5.112,568 5.352,569 5.595,570 5.768,571 5.799,572 5.304,573 0.724,574 375.82,575 3.466,576 5.043,577 5.932,578 6.851,579 7.764,580 8.692,581 9.616,582 10.548,583 11.478,584 12.412,585 2.4,591 1,592 2,593 10,594 1,596 9,598 23,602 2,603 1,604 1,605 41,606 23,607 3,608 31,610 45,611 22,612 21,613 8,614 10,616 5,617 11,618 1,628 21,629 1,639 14,640 4,641 2,642 5,643 1,645 1,647 0.4,648 3,650 1,654 5,657 3,667 2,671 1,673 27,674 2,675 1,677 1,687 1,688 7.3,690 2,692 1,693 13.167,694 7.493,695 5.694,696 2.368,697 4.577,698 1.553,699 1.02,700 3.742,701 12.855,702 3.773,703 4.483,704 5.162,705 5.855,706 6.56,707 7.004,708 7.557,709 8.119,710 8.617,711 8.963,712 1,713 50,714 9.952,715 4.442,716 7.813,717 18.83,718 16.165,719 2.313,720 62.444,723 141.253,724 128.315,725 16.786,726 39.149,727 96.367,730 128.315,731 276.768,732 16.786,734 4.592,735 94.762,736 102.152,737 39.96,739 141.253,740 39.149,741 141.253,742 145.101,743 96.367,744 39.149,746 141.253,747 96.367,749 9.493,750 118.822,751 55.934,753 141.253,754 113.152,755 167.464,756 141.253,757 33.553,758 94.762,760 152.301,761 141.253,762 113.152,763 167.464,764 0.596,765 0.35,766 0.2,767 0.127,768 26,769 11,770 0.022,771 1,772 3,773 1.25,774 3.741,775 261.439,776 0.25,777 24,778 124.382,780 16.423,781 6.152,782 2.708,783 1.624,784 113.152,785 17.783,786 4.833,788 6.122,790 85.367,791 421.869,792 42.5,797 41.593,798 44.977,799 0.289,800 0.627,801 0.772,802 0.915,803 0.945,804 0.954,805 5.029,806 1.751,807 5.943,808 5.557,809 4.533,810 5.17,811 1.294,812 6.819,813 4.453,814 6.28,815 1.479,816 7.536,817 5.007,818 4.205,819 5.094,821 7.828,822 4.071,823 7.619,824 1,825 9.229,826 4.199,827 6.184,828 7.488,829 1.506,830 10.991,831 6.059,832 8.995,833 0.993,834 10.98,835 2.569,836 6.648,837 8.204,839 12.853,840 6.493,841 10.4,842 0.715,843 12.772,844 2.275,845 8.126,846 10.088,847 1.731,848 15.56,849 7.973,850 11.827,851 0.14,852 14.592,853 1.83,854 8.971,855 11.199,857 17.788,858 8.803,859 13.274,860 -0.09,861 16.434,862 0.357,863 10.255,864 12.868,865 1.968,866 20.344,867 10.083,868 3.358,869 -0.246,870 18.295,871 -0.222,872 11.286,873 14.185,875 22.725,876 11.103,877 2.955,878 12.224,879 20.169,880 -0.618,881 12.499,882 15.761,883 2.214,884 25.232,885 12.309,886 2.622,887 10.245,888 22.056,889 4.665,890 13.617,891 17.183,893 27.677,894 13.416,895 2.431,896 8.244,897 23.952,898 4.018,899 14.81,900 18.724,901 2.468,902 30.171,903 14.598,904 2.237,905 7.394,906 25.856,907 3.685,908 15.969,909 20.199,911 32.644,912 15.746,913 2.084,914 6.217,915 27.767,916 3.357,917 17.158,918 21.728,919 2.727,920 35.136,921 16.924,922 1.888,923 5.805,924 29.684,925 3.015,926 18.338,927 23.231,929 37.621,930 18.091,931 7489,932 13394,933 21.096,934 30.557,935 47.772,936 48.121,937 49.174,938 47.539,939 47.31,940 64.881,941 2.302,942 143.85,943 45.12,944 5.636,945 5.465,946 6.479,947 5.43,948 5.358,949 7.665,950 2.302,951 19.924,952 5.309,953 11.686,954 1.541,955 1.552,956 1.586,957 1.534,958 1.526,959 2.093,960 0.074,961 4.64,962 1.455,963 4.149,964 4.165,965 4.136,966 4.091,967 6.474,968 4.096,969 3.888,970 3.901,971 3.946,972 3.825,973 6.468,974 3.825,975 3.829,976 3.849,977 3.825,978 3.771,979 5.016,980 3.767,981 3.483,982 3.507,983 3.465,984 3.385,985 4.903,986 3.387,987 3.104,988 3.14,989 3.266,990 2.952,991 4.68,992 2.953,993 3.045,994 3.068,995 3.018,996 2.874,997 4.321,998 2.898,999 2.893,1000 2.927,1001 2.852,1002 2.735,1003 4.208,1004 2.736,1005 2.854,1006 2.925,1007 2.782,1008 2.732,1009 4.093,1010 2.715,1011 0.153,1012 0.112,1013 0.228,1014 0.14,1015 0.108,1016 4.75,1017 0.15,1018 3.465,1019 0.037,1020 7.065,1021 0.394,1022 4.343,1023 0.107,1024 3.358,1025 4.665,1026 1.151,1027 12.224,1028 3.309,1029 2.1,1030 2.086,1031 2.148,1032 2.172,1033 1.336,1034 2.165,1035 1.871,1036 1.856,1037 1.955,1038 1.957,1039 1.073,1040 1.957,1041 1.817,1042 1.798,1043 1.91,1044 1.897,1045 1.006,1046 1.908,1047 1.453,1048 1.429,1049 1.599,1050 1.596,1051 0.78,1052 1.596,1053 1.013,1054 0.985,1055 1.224,1056 1.278,1057 0.358,1058 1.253,1059 1.008,1060 0.969,1061 1.181,1062 1.148,1063 0.229,1064 1.162,1065 0.886,1066 0.821,1067 1.177,1068 1.081,1069 0.218,1070 1.107,1071 0.848,1072 0.81,1073 1.087,1074 1.062,1075 0.149,1076 1.073,1077 4.143,1078 5.509,1080 7.088,1082 8.769,1084 10.507,1087 6.067,1089 19.787,1090 0.322,1092 5.907,1100 29.681,1101 63.494,1102 137.711,1103 169.685,1104 200.905,1105 207.66,1106 209.66,1107 39.76,1108 8.277,1109 62.58,1110 62.58,1111 30,1112 12.912,1113 4.585,1114 3.644,1115 35.38,1116 84,1117 95,1118 0.209,1119 179.75,1120 307.3,1121 430.349,1122 44689,1123 2.4,1124 18.543,1125 0.687,1126 0.551,1127 19.043,1128 14.864,1129 13.097,1130 0.422,1131 0.286,1132 8.428,1133 12.461,1134 8.228,1135 6.735,1136 13.386,1137 8.855,1138 12.422,1139 0.27,1140 0.151,1141 12.831,1142 6.928,1143 10.753,1144 0.165,1145 0.078,1146 11.042,1147 5.047,1148 9.472,1149 0.101,1150 0.039,1151 9.639,1152 3.702,1153 8.84,1154 0.064,1155 0.021,1156 9.055,1157 2.854,1158 0.312,1159 84.231,1160 0.218,1161 24.99,1162 0.63,1163 154,1164 439.883,1165 179.324,1166 460.314,1167 630.07,1168 430,1169 188,1170 451.195,1171 207.565,1172 469.524,1173 695.69,1174 444,1175 5.63}
{0 CHEMBL250506,1 1.667,2 9.9,3 5.626,4 31.654,5 104.259,6 9.304,7 0.676,8 3.947,9 4.016,10 3.68,11 3.554,12 5.232,13 3.579,14 4.462,15 4.552,16 4.167,17 3.962,18 6.176,19 3.989,20 4.683,21 4.803,22 4.217,23 4.122,24 6.011,25 4.128,26 4.795,27 4.953,28 4.195,29 4.122,30 6.134,31 4.117,32 4.75,33 4.907,34 4.13,35 4.128,36 5.989,37 4.105,38 4.752,39 4.913,40 4.069,41 4.103,42 5.947,43 4.061,44 4.734,45 4.914,46 3.981,47 3.978,48 5.988,49 3.94,50 4.595,51 4.781,52 3.915,53 3.731,54 5.975,55 3.741,56 0.239,57 0.766,58 5.131,59 4.093,60 41.744,61 3.636,62 0.87,63 1.661,64 10.491,65 6.919,66 140.535,67 6.225,68 0.588,69 1.53,70 14.158,71 8.759,72 71.979,73 8.553,74 0.951,75 1.775,76 20.085,77 9.913,78 120.694,79 9.79,80 0.786,81 1.608,82 18.712,83 9.831,84 112.298,85 10.129,86 0.682,87 1.436,88 18.515,89 9.841,90 84.945,91 10.809,92 0.83,93 1.46,94 21.041,95 9.882,96 105.683,97 10.888,98 0.696,99 1.495,100 18.89,101 8.858,102 101.93,103 9.58,104 27,105 52,106 0.283,107 0.584,108 0.715,109 0.835,110 0.862,111 0.869,112 3.442,113 0.803,114 -4.82,115 -4.73,116 -4.44,118 52.3,124 1,127 1,135 10,136 6,137 3,139 2,146 13,148 7,150 4,151 18,153 6,155 3,156 17,157 1,158 6,159 1,161 2,162 16,164 5,165 1,166 2,167 17,169 5,170 1,171 3,172 17,174 3,175 1,176 4,177 14,181 5,182 6,187 6,188 2,189 1492,190 19.867,191 19.867,192 19.867,193 19.867,194 19.867,195 17.219,196 16.313,197 11.19,198 20.36,199 16.798,200 16.798,201 16.798,202 16.798,203 16.798,204 12.687,205 16.954,206 5.329,207 17.713,208 3.792,209 2.016,210 1.244,211 0.534,212 0.381,213 0.335,214 4.149,218 1,219 653,220 3.391,222 272.118,225 253.573,226 1.44,227 53.649,230 1,231 1,232 1,233 0.4,235 1,236 1,237 0.77,238 68,239 297,240 4.751,241 4.46,242 7.114,243 4.346,244 3.367,245 4.665,246 3.825,247 12.226,248 3.31,249 4.437,250 3.464,251 7.062,252 4.165,253 3.302,254 4.019,255 1.151,256 11.655,257 2.911,258 4.329,259 3.08,260 6.525,261 3.927,262 2.951,263 3.84,265 10.244,266 2.835,267 3.975,268 2.705,269 5.914,270 3.554,271 2.577,272 3.478,274 8.234,275 2.506,276 3.766,277 2.547,278 5.623,279 3.345,280 2.382,281 3.208,283 7.369,284 2.284,285 3.481,286 2.368,287 5.047,288 3.04,289 2.093,290 2.851,292 5.852,293 1.973,294 3.373,295 2.234,296 4.957,297 2.948,298 1.988,299 2.685,301 5.79,302 1.893,303 3.197,304 2.161,305 4.835,306 2.77,307 1.841,308 2.45,309 5.297,310 1.696,311 2.911,312 1.922,313 4.596,314 2.546,315 1.606,316 2.041,317 4.62,318 1.491,319 2.831,320 1.504,321 4.453,322 2.375,323 1.41,324 1.946,325 4.126,326 1.334,327 2.5,328 1.107,329 3.807,330 2,331 1,332 1.5,333 2.566,334 1,335 2.424,336 1,337 3.543,338 1.963,339 0.992,340 1.392,341 2.275,342 0.959,343 1.998,344 0.866,345 3.414,346 1.639,347 0.693,348 0.883,349 1.796,350 0.649,351 1.455,352 0.51,353 3.055,354 1.05,355 0.103,356 0.133,357 0.271,358 0.097,359 1.176,360 0.51,361 2.836,362 0.803,363 -0.132,364 -0.16,365 -0.355,366 -0.122,367 13.757,368 0.459,369 1.035,370 0.035,371 42.75,372 1.425,373 23.5,374 0.783,375 19.25,376 0.642,377 22.361,378 0.745,379 31.243,380 0.71,381 36.407,382 1.214,383 8.62,384 0.287,385 5.689,386 0.19,387 0.111,388 0.036,389 0.4,390 3,391 0.678,392 0.759,393 0.605,394 0.814,395 0.704,396 0.731,397 0.531,398 0.675,399 0.629,400 0.876,401 0.399,402 0.839,403 0.702,404 0.855,405 0.818,406 1.019,407 0.593,408 1.003,409 0.882,410 0.874,411 1.026,412 0.928,413 0.834,414 0.996,415 0.76,416 0.749,417 0.993,418 0.955,419 0.698,420 1.04,421 0.548,422 0.65,423 0.932,424 1.055,425 0.42,426 1.154,427 0.695,428 0.771,429 0.966,430 1.041,431 0.636,432 1.118,433 0.968,434 1.242,435 0.895,436 1.236,437 1.007,438 1.123,439 7.5,440 0.214,441 4.222,442 2.438,443 2.489,444 1.354,445 1.024,446 0.665,447 0.616,448 0.418,449 10692,450 40073,451 2.116,452 31.8,454 12,457 2,461 1.736,462 1.946,463 3.241,464 0.21,469 73.36,470 1.667,471 3.443,472 4.216,473 4.925,474 5.079,475 5.124,476 2.681,477 4.257,478 4.874,479 3.423,480 1489.19,481 8.546,482 19451.6,487 240.215,488 1.648,489 4.818,490 0.221,491 0.011,492 0.081,493 0.044,494 0.047,495 0.027,496 0.022,497 0.016,498 0.017,499 0.014,500 0.499,501 0.33,502 0.88,503 0.758,504 149.983,505 -0.073,506 0.03,507 -0.012,508 0.095,509 -0.137,510 0.083,511 0.275,512 0.287,513 0.076,514 0.057,515 0.362,516 -0.008,517 -0.064,518 -0.11,519 -0.057,520 -0.101,521 -0.015,522 -0.089,523 -0.073,524 0.024,525 -0.123,526 0.02,527 -0.07,528 -0.033,529 -0.066,530 0.058,531 -0.123,532 -0.001,533 -0.061,534 -0.051,535 0.008,536 -0.048,537 -0.057,538 -0.119,539 0.029,540 -0.125,541 0.005,542 -0.098,543 0.024,544 -0.076,545 -0.008,546 -0.044,547 -0.038,548 -0.329,549 0.187,550 -0.232,551 -0.052,552 -0.041,553 5.68,554 5.016,555 0.8,556 27.547,557 1.038,558 1.124,559 3.589,560 12.879,561 0.711,562 3.555,563 3.97,564 4.277,565 4.615,566 4.977,567 5.182,568 5.434,569 5.68,570 5.875,571 5.935,572 5.945,573 0.717,574 409.38,575 3.555,576 5.153,577 6.038,578 6.965,579 7.873,580 8.804,581 9.722,582 10.656,583 11.58,584 12.516,585 2.3,591 1,592 2,593 10,594 1,596 9,598 23,602 2,603 1,605 44,606 23,607 3,608 34,610 48,611 23,612 21,613 8,614 10,616 5,617 11,620 1,625 1,628 21,629 2,638 3,639 14,640 7,641 2,642 7,645 1,647 0.4,648 3,650 1,654 5,657 3,667 2,672 3,673 30,674 2,675 1,677 1,681 1,687 3,688 6.8,690 2,692 1,693 15.417,694 8.029,695 6.194,696 2.502,697 4.647,698 1.546,699 1.016,700 4.159,701 13.159,702 3.839,703 4.549,704 5.212,705 5.893,706 6.588,707 7.049,708 7.611,709 8.168,710 8.678,711 9.043,712 0.857,713 56,714 11.549,715 5.642,716 8.286,717 20.292,718 17.424,719 2.786,720 83.583,723 141.253,724 135.76,725 16.786,727 96.367,728 44.88,730 135.76,731 237.62,732 61.666,734 4.592,735 94.762,736 102.152,737 84.525,739 141.253,740 7.76,741 141.253,742 152.545,743 141.247,746 141.253,747 141.247,749 17.253,750 118.507,751 16.786,753 186.134,754 113.152,755 135.76,756 149.013,757 33.238,758 94.762,760 158.032,761 141.253,762 158.032,763 135.76,764 0.607,765 0.348,766 0.188,767 0.114,768 29,769 13,770 0.021,771 1,772 3,773 1.25,774 3.923,775 299.403,776 0.25,777 24,778 138.452,780 18.773,781 6.646,782 3.174,783 1.196,784 158.032,785 14.321,786 4.718,788 3.046,790 85.367,791 435.045,792 45.5,797 45.691,798 49.467,799 0.305,800 0.631,801 0.772,802 0.902,803 0.93,804 0.939,805 5.122,806 1.841,807 6.089,808 5.79,809 4.654,810 5.236,811 3.157,812 6.999,813 4.558,814 6.391,815 1.606,816 7.715,817 5.297,818 4.511,819 5.231,820 3.903,821 8.201,822 4.292,823 7.748,824 1.41,825 9.446,826 4.62,827 6.385,828 7.553,829 5.436,830 11.281,831 6.196,832 9.139,833 1,834 11.24,835 4.126,836 7.004,837 8.308,838 6.69,839 13.265,840 6.698,841 10.558,842 0.992,843 13.073,844 2.566,845 8.43,846 10.155,847 8.059,848 15.932,849 8.132,850 11.998,851 0.693,852 14.934,853 2.275,854 9.377,855 11.281,856 9.388,857 18.215,858 8.989,859 13.455,860 0.103,861 16.815,862 1.796,863 10.645,864 12.931,865 10.734,866 20.751,867 10.243,868 3.367,869 -0.132,870 18.71,871 0.271,872 11.735,873 14.25,874 12.074,875 23.151,876 11.266,877 3.302,878 12.226,879 20.617,880 -0.355,881 12.949,882 15.815,883 13.417,884 25.646,885 12.455,886 2.951,887 11.655,888 22.533,889 4.665,890 14.099,891 17.234,892 14.758,893 28.092,894 13.555,895 2.577,896 10.244,897 24.456,898 4.019,899 15.297,900 18.767,901 16.1,902 30.575,903 14.724,904 2.382,905 8.234,906 26.384,907 3.84,908 16.474,909 20.238,910 17.441,911 33.041,912 15.862,913 2.093,914 7.369,915 28.317,916 3.478,917 17.669,918 21.762,919 18.783,920 35.522,921 17.03,922 1.988,923 5.852,924 30.254,925 3.208,926 18.857,927 23.26,928 20.124,929 37.998,930 18.187,931 10099,932 19694,933 22.482,934 31.273,935 53.386,936 52.737,937 54.249,938 52.902,939 52.611,940 70.183,941 9.952,942 164.643,943 49.877,944 5.637,945 6.46,946 6.528,947 5.433,948 5.367,949 7.665,950 5.335,951 19.926,952 5.31,953 16.206,954 1.57,955 1.551,956 1.596,957 1.556,958 1.547,959 2.064,960 0.293,961 4.842,962 1.467,963 4.152,964 4.168,965 4.127,966 4.092,967 8.513,968 4.098,969 3.902,970 3.922,971 3.864,972 3.831,973 7.999,974 3.834,975 3.854,976 3.873,977 3.812,978 3.78,979 7.999,980 3.782,981 3.502,982 3.526,983 3.456,984 3.393,985 6.473,986 3.399,987 3.296,988 3.336,989 3.295,990 3.04,991 6.468,992 3.082,993 3.103,994 3.14,995 3.018,996 2.877,997 4.995,998 2.902,999 2.957,1000 2.996,1001 2.894,1002 2.783,1003 4.702,1004 2.804,1005 2.893,1006 2.925,1007 2.783,1008 2.735,1009 4.635,1010 2.735,1011 0.14,1012 0.131,1013 0.209,1014 0.128,1015 0.099,1016 4.751,1017 0.137,1018 4.46,1019 0.113,1020 7.114,1021 0.36,1022 4.346,1023 0.097,1024 3.367,1025 4.665,1026 3.825,1027 12.226,1028 3.31,1029 2.101,1030 2.087,1031 2.151,1032 2.174,1033 1.338,1034 2.167,1035 1.881,1036 1.864,1037 1.971,1038 1.974,1039 1.087,1040 1.971,1041 1.831,1042 1.812,1043 1.924,1044 1.928,1045 1.029,1046 1.925,1047 1.462,1048 1.438,1049 1.605,1050 1.61,1051 0.786,1052 1.604,1053 1.111,1054 1.084,1055 1.246,1056 1.414,1057 0.392,1058 1.325,1059 1.01,1060 0.969,1061 1.187,1062 1.276,1063 0.237,1064 1.246,1065 0.893,1066 0.848,1067 1.181,1068 1.101,1069 0.218,1070 1.11,1071 0.886,1072 0.821,1073 1.101,1074 1.08,1075 0.156,1076 1.107,1077 4.234,1078 5.624,1080 7.215,1082 8.899,1084 10.635,1088 39.047,1089 19.752,1090 0.126,1092 5.808,1096 -4.43,1100 31.53,1101 73.36,1102 151.512,1103 185.486,1104 216.705,1105 223.46,1106 225.46,1107 62.537,1108 8.512,1109 62.58,1110 62.58,1111 30,1112 13.017,1113 4.585,1114 3.644,1115 41.267,1116 102,1117 116,1118 0.195,1119 184.604,1120 327.6,1121 442.193,1122 59992,1123 6.8,1124 21.043,1125 0.701,1126 0.512,1127 18.543,1128 15.364,1129 14.309,1130 0.421,1131 0.268,1132 8.95,1133 13.684,1134 8.834,1135 7.197,1136 13.097,1137 9.105,1138 14.38,1139 0.277,1140 0.136,1141 12.422,1142 7.06,1143 11.689,1144 0.165,1145 0.073,1146 10.753,1147 5.163,1148 10.171,1149 0.102,1150 0.038,1151 9.472,1152 3.786,1153 9.126,1154 0.063,1155 0.02,1156 8.84,1157 2.834,1158 0.294,1159 90.573,1160 0.211,1161 27.498,1162 0.572,1163 172,1164 690.013,1165 198.821,1166 586.732,1167 778.75,1168 544,1169 209,1170 558.332,1171 229.283,1172 547.833,1173 831.05,1174 516,1175 5.281}
{0 CHEMBL250507,1 1.458,2 9.679,3 4.668,4 21.786,5 104.749,6 8.254,7 0.719,8 3.95,9 4.023,10 3.606,11 3.556,12 5.158,13 3.559,14 4.431,15 4.534,16 3.994,17 3.955,18 5.616,19 3.951,20 4.658,21 4.78,22 4.116,23 4.118,24 5.824,25 4.098,26 4.74,27 4.894,28 4.08,29 4.145,30 5.857,31 4.097,32 4.764,33 4.934,34 4.072,35 4.171,36 5.829,37 4.109,38 4.798,39 4.978,40 4.02,41 4.118,42 5.899,43 4.056,44 4.711,45 4.893,46 3.864,47 3.96,48 5.846,49 3.896,50 4.542,51 4.734,52 3.626,53 3.722,54 5.657,55 3.649,56 0.081,57 0.545,58 7.466,59 4.123,60 12.609,61 4.379,62 0.186,63 0.897,64 13.669,65 6.782,66 18.788,67 7.349,68 0.256,69 1.15,70 17.886,71 8.511,72 32.396,73 9.355,74 0.412,75 1.284,76 20.859,77 9.37,78 40.237,79 11.044,80 0.253,81 1.303,82 21.789,83 10.22,84 31.461,85 12.679,86 0.344,87 1.337,88 23.925,89 10.511,90 42.941,91 12.753,92 0.43,93 1.202,94 22.857,95 9.615,96 49.568,97 11.371,98 0.438,99 0.993,100 20.293,101 8.324,102 39.468,103 9.973,104 11,105 47,106 0.246,107 0.564,108 0.707,109 0.825,110 0.865,111 0.872,112 3.376,113 0.834,114 -3.72,115 -3.68,116 -3.5,118 51.1,123 1,124 1,135 10,136 5,137 4,139 2,146 11,148 9,150 4,151 16,153 8,155 3,156 16,157 1,158 7,159 1,161 2,162 15,164 6,165 1,166 2,167 15,169 7,170 1,171 3,172 16,174 2,175 1,176 4,177 12,178 2,179 2,181 4,182 4,184 2,185 1,187 6,189 1196,190 19.265,191 19.265,192 19.265,193 19.265,194 19.265,195 16.578,196 16.171,197 11.057,198 19.685,199 15.751,200 15.751,201 15.751,202 15.751,203 15.751,204 11.571,205 17.452,206 5.201,207 16.371,208 4.034,209 2.151,210 1.305,211 0.611,212 0.372,213 0.328,214 4.09,217 1,218 1,219 603,220 2.55,222 242.036,225 225.62,226 1.321,227 27.822,229 1,230 1,231 1,232 1,233 0.6,235 1,236 1,237 0.8,238 60.5,239 271,240 4.75,241 3.464,242 7.065,243 4.343,244 3.359,245 4.665,246 1.151,247 12.224,248 3.309,249 4.337,250 3.085,251 6.525,252 3.934,253 2.956,254 4.018,255 0.86,256 10.246,257 2.889,258 4.06,259 2.84,260 5.917,261 3.616,262 2.64,263 3.696,265 8.25,266 2.576,267 3.846,268 2.687,269 5.636,270 3.419,271 2.455,272 3.367,274 7.431,275 2.362,276 3.641,277 2.491,278 5.311,279 3.237,280 2.286,281 3.041,283 6.752,284 2.165,285 3.478,286 2.347,287 4.989,288 3.031,289 2.086,290 2.85,292 5.808,293 1.964,294 3.261,295 2.185,296 4.956,297 2.856,298 1.898,299 2.527,301 5.65,302 1.813,303 3.106,304 2.097,305 4.785,306 2.706,307 1.77,308 2.341,309 5.086,310 1.644,311 2.893,312 1.591,313 4.477,314 2.461,315 1.489,316 2.034,317 4.216,318 1.441,319 2.5,320 1.12,321 3.809,322 2,323 1,324 1.5,325 2.572,326 1,327 2.433,328 1.092,329 3.549,330 1.968,331 0.995,332 1.404,333 2.275,334 0.964,335 2.026,336 1,337 3.414,338 1.695,339 0.758,340 0.931,341 1.87,342 0.703,343 1.681,344 0.834,345 3.056,346 1.365,347 0.486,348 0.561,349 0.822,350 0.423,351 1.404,352 0.315,353 2.835,354 1.014,355 0.077,356 0.098,357 0.184,358 0.071,359 1.163,360 0.18,361 2.726,362 0.783,363 -0.15,364 -0.183,365 -0.385,366 -0.139,367 13.233,368 0.473,369 0.709,370 0.025,371 42,372 1.5,373 24,374 0.857,375 18,376 0.643,377 19.534,378 0.698,379 28.167,380 0.626,381 32.23,382 1.151,383 8.426,384 0.301,385 5.21,386 0.186,387 0.088,389 0.416,391 0.924,392 0.949,393 0.714,394 0.869,395 0.987,396 0.774,397 1.026,398 0.952,399 0.773,400 0.848,401 0.672,402 0.777,403 1.048,404 1.087,405 0.936,406 0.975,407 0.979,408 0.94,409 0.787,410 1.003,411 0.988,412 0.974,413 0.744,414 1.005,415 0.609,416 1.033,417 0.875,418 1.034,419 0.556,420 1.014,421 0.844,422 1.026,423 0.976,424 1.049,425 0.791,426 1.041,427 1.023,428 1.026,429 1.07,430 1.071,431 1.054,432 1.077,433 1.035,434 1.006,435 1.065,436 1.081,437 1.033,438 1.086,439 5.5,440 0.099,441 3.333,442 1.938,443 2.409,444 1.174,445 0.943,446 0.477,447 0.41,448 0.229,449 8918,450 25449,451 2.177,452 37.8,454 15,457 2,461 1.719,462 2.049,463 3.198,464 0.176,469 65.605,470 1.458,471 3.341,472 4.187,473 4.881,474 5.12,475 5.164,476 2.637,477 4.209,478 4.773,479 3.323,480 1256.21,481 8.352,482 15517.4,484 1,487 247.133,488 1.375,489 4.745,490 0.172,491 0.009,492 0.071,493 0.037,494 0.049,495 0.024,496 0.021,497 0.013,498 0.015,499 0.011,500 0.422,501 0.5,502 0.88,503 0.689,504 136.218,505 -0.097,506 0.023,507 0.022,508 0.061,509 -0.175,510 0.065,511 -0.117,512 0.031,513 0.039,514 0.093,515 -0.001,516 0.096,517 -0.137,518 -0.086,519 -0.091,520 -0.037,521 -0.116,522 -0.052,523 0.025,524 0.022,525 -0.099,526 -0.027,527 -0.03,528 -0.074,529 0.042,530 -0.051,531 0.022,532 -0.06,533 0.052,534 -0.031,535 -0.013,536 -0.044,537 -0.021,538 -0.072,539 0.021,540 -0.052,541 -0.012,542 -0.056,543 -0.068,544 -0.088,545 -0.04,546 -0.086,547 0.07,548 -0.064,549 -0.012,550 -0.08,551 -0.017,552 -0.069,553 1.511,554 4.069,555 0.857,556 23.959,557 1.011,558 1.104,559 2.486,560 6.179,561 0.709,562 3.497,563 3.871,564 4.22,565 4.575,566 4.949,567 5.136,568 5.38,569 5.624,570 5.805,571 5.846,572 5.564,573 0.691,574 371.41,575 3.497,576 5.069,577 5.958,578 6.874,579 7.787,580 8.712,581 9.636,582 10.566,583 11.496,584 12.429,585 2.2,591 1,592 2,593 10,594 1,596 9,598 23,602 2,603 2,605 45,606 23,607 3,608 32,610 49,611 23,612 21,613 8,614 10,616 5,617 11,628 21,629 2,637 1,639 17,640 5,641 2,642 5,645 1,647 0.4,648 4,650 1,654 5,657 3,667 2,670 1,673 28,674 2,675 1,677 2,688 8.9,690 2,692 2,693 13.667,694 8.517,695 6.028,696 2.54,697 4.605,698 1.551,699 1.003,700 3.967,701 12.967,702 3.795,703 4.494,704 5.179,705 5.868,706 6.57,707 7.019,708 7.575,709 8.136,710 8.638,711 8.99,712 0.857,713 52,714 10.324,715 4.549,716 7.78,717 19.578,718 16.574,719 2.28,720 63.833,722 1,723 176.567,724 140.941,725 16.786,727 107.366,730 140.941,731 283.933,732 16.786,733 10.883,734 4.592,735 94.762,736 102.152,737 52.703,739 176.567,741 176.567,742 157.726,743 107.366,746 176.567,747 107.366,749 9.493,750 131.448,751 16.786,753 176.567,754 124.152,755 140.941,756 176.567,757 35.295,758 105.646,760 124.152,761 176.567,762 124.152,763 140.941,764 0.59,765 0.354,766 0.2,767 0.124,768 26,769 11,770 0.041,771 2,772 3,773 1.25,774 3.83,775 272.665,776 0.25,777 24,778 128.606,780 17.05,781 6.515,782 2.819,783 1.637,784 124.152,785 18.035,786 4.85,788 6.29,790 85.367,791 441.659,792 43.5,797 45.48,798 49.658,799 0.265,800 0.608,801 0.762,802 0.889,803 0.932,804 0.94,805 5.048,806 1.77,807 5.964,808 5.65,809 4.554,810 5.182,811 1.635,812 6.838,813 4.486,814 6.293,815 1.489,816 7.556,817 5.086,818 4.205,819 5.094,821 7.849,822 4.111,823 7.631,824 1,825 9.248,826 4.216,827 6.205,828 7.495,829 1.723,830 11.007,831 6.094,832 9.005,833 0.995,834 10.999,835 2.572,836 6.661,837 8.211,839 12.867,840 6.533,841 10.41,842 0.758,843 12.79,844 2.275,845 8.144,846 10.094,847 1.865,848 15.569,849 8.004,850 11.838,851 0.486,852 14.609,853 1.87,854 8.985,855 11.205,857 17.795,858 8.833,859 13.284,860 0.077,861 16.45,862 0.822,863 10.27,864 12.873,865 2.048,866 20.348,867 10.107,868 3.359,869 -0.15,870 18.309,871 0.184,872 11.297,873 14.189,875 22.728,876 11.124,877 2.956,878 12.224,879 20.182,880 -0.385,881 12.51,882 15.765,883 2.261,884 25.234,885 12.326,886 2.64,887 10.246,888 22.066,889 4.665,890 13.626,891 17.187,893 27.679,894 13.431,895 2.455,896 8.25,897 23.961,898 4.018,899 14.818,900 18.727,901 2.495,902 30.172,903 14.611,904 2.286,905 7.431,906 25.864,907 3.696,908 15.975,909 20.202,911 32.644,912 15.756,913 2.086,914 6.752,915 27.773,916 3.367,917 17.164,918 21.73,919 2.743,920 35.136,921 16.933,922 1.898,923 5.808,924 29.689,925 3.041,926 18.342,927 23.233,929 37.622,930 18.099,931 8351,932 14210,933 21.789,934 31.915,935 48.769,936 49.187,937 50.602,938 48.516,939 48.507,940 66.068,941 4.022,942 146.77,943 46.648,944 5.636,945 5.464,946 6.616,947 5.43,948 5.359,949 7.665,950 2.302,951 19.924,952 5.309,953 12.088,954 1.524,955 1.537,956 1.581,957 1.516,958 1.516,959 2.065,960 0.126,961 4.587,962 1.458,963 4.15,964 4.166,965 4.125,966 4.09,967 6.474,968 4.096,969 3.889,970 3.903,971 3.844,972 3.82,973 6.468,974 3.823,975 3.836,976 3.856,977 3.78,978 3.761,979 5.004,980 3.762,981 3.49,982 3.513,983 3.424,984 3.383,985 4.838,986 3.388,987 3.245,988 3.306,989 3.098,990 2.999,991 4.679,992 3.013,993 3.103,994 3.14,995 3.018,996 2.88,997 4.365,998 2.902,999 2.988,1000 3.03,1001 2.866,1002 2.838,1003 4.216,1004 2.835,1005 2.893,1006 2.926,1007 2.783,1008 2.735,1009 4.094,1010 2.736,1011 0.148,1012 0.108,1013 0.221,1014 0.136,1015 0.105,1016 4.75,1017 0.146,1018 3.464,1019 0.036,1020 7.065,1021 0.382,1022 4.343,1023 0.103,1024 3.359,1025 4.665,1026 1.151,1027 12.224,1028 3.309,1029 2.099,1030 2.086,1031 2.15,1032 2.173,1033 1.336,1034 2.166,1035 1.871,1036 1.856,1037 1.963,1038 1.964,1039 1.074,1040 1.963,1041 1.818,1042 1.798,1043 1.92,1044 1.918,1045 1.009,1046 1.918,1047 1.456,1048 1.432,1049 1.613,1050 1.609,1051 0.781,1052 1.607,1053 1.191,1054 1.124,1055 1.555,1056 1.494,1057 0.574,1058 1.514,1059 1.01,1060 0.969,1061 1.223,1062 1.278,1063 0.353,1064 1.252,1065 0.979,1066 0.933,1067 1.181,1068 1.134,1069 0.229,1070 1.151,1071 0.886,1072 0.821,1073 1.176,1074 1.081,1075 0.218,1076 1.107,1077 4.174,1078 5.533,1080 7.109,1082 8.788,1084 10.525,1086 1.636,1089 19.85,1090 0.325,1092 11.211,1100 31.095,1101 65.605,1102 150.33,1103 188.404,1104 219.624,1105 230.379,1106 232.379,1107 40.715,1108 8.361,1109 71.81,1110 71.81,1111 30,1112 12.93,1113 4.585,1114 3.644,1115 37.302,1116 90,1117 116,1118 0.203,1119 185.005,1120 318.18,1121 443.173,1122 49788,1124 19.25,1125 0.688,1126 0.541,1127 19.25,1128 15.139,1129 13.635,1130 0.426,1131 0.278,1132 8.78,1133 13.15,1134 8.57,1135 7.062,1136 13.635,1137 8.901,1138 12.591,1139 0.268,1140 0.143,1141 12.591,1142 6.713,1143 11.161,1144 0.167,1145 0.075,1146 11.161,1147 5.04,1148 9.783,1149 0.102,1150 0.039,1151 9.783,1152 3.717,1153 8.951,1154 0.064,1155 0.02,1156 8.951,1157 2.791,1158 0.304,1159 85.399,1160 0.214,1161 25.881,1162 0.604,1163 158,1164 461.416,1165 170.683,1166 444.523,1167 619.07,1168 418,1169 193,1170 464.878,1171 205.465,1172 473.552,1173 699.93,1174 446,1175 6.26}
{0 CHEMBL372783,1 1.623,2 8.263,3 4.093,4 16.751,5 72.937,6 9.369,7 0.81,8 3.505,9 3.576,10 3.252,11 3.169,12 4.783,13 3.158,14 3.921,15 4.008,16 3.648,17 3.545,18 5.218,19 3.521,20 4.199,21 4.334,22 3.734,23 3.65,24 5.47,25 3.601,26 4.158,27 4.334,28 3.629,29 3.528,30 5.359,31 3.448,32 3.973,33 4.151,34 3.532,35 3.374,36 5.253,37 3.29,38 3.796,39 3.947,40 3.21,41 3.214,42 5.047,43 3.108,44 3.627,45 3.801,46 2.892,47 2.977,48 4.778,49 2.873,50 3.446,51 3.647,52 2.74,53 2.619,54 4.771,55 2.55,56 0.082,57 0.339,58 3.657,59 2.338,60 12.037,61 2.399,62 0.069,63 0.53,64 5.502,65 3.655,66 6.186,67 4.108,68 0.232,69 0.713,70 11.773,71 5.229,72 30.432,73 5.547,74 0.276,75 0.695,76 14.065,77 5.308,78 34.447,79 5.968,80 0.266,81 0.557,82 12.965,83 4.716,84 30.945,85 5.723,86 0.215,87 0.435,88 12.697,89 4,90 24.975,91 4.561,92 0.138,93 0.38,94 9.291,95 3.397,96 18.313,97 3.969,98 0.157,99 0.32,100 7.412,101 2.928,102 18.859,103 3.574,104 10,105 30,106 0.306,107 0.565,108 0.677,109 0.82,110 0.851,111 0.864,112 3.011,113 0.871,114 -4.33,115 -4.26,116 -4.02,118 51.7,135 8,136 2,137 3,139 2,146 6,148 4,150 4,151 10,153 4,155 4,156 8,158 3,161 1,162 7,165 1,166 2,167 10,170 1,171 1,172 10,176 1,177 4,181 5,187 4,189 374,190 12.671,191 12.671,192 12.671,193 12.671,194 12.671,195 10.621,196 5.915,197 7.345,198 12.915,199 10.359,200 10.359,201 10.359,202 10.359,203 10.359,204 7.331,205 2.967,206 3.521,207 10.84,208 3.235,209 1.862,210 1.267,211 0.509,212 0.345,213 0.276,214 3.689,215 1,217 1,218 1,219 339,220 1.871,222 139.492,225 73.926,226 1.252,227 20.694,230 1,231 1,232 1,233 0.4,235 1,236 1,237 0.77,238 40.833,239 157,240 4.566,241 3.279,242 6.535,243 4.078,244 3.117,245 4.509,247 10.31,248 2.987,249 4.137,250 2.814,251 6.08,252 3.727,253 2.742,254 3.767,256 8.819,257 2.697,258 3.709,259 2.594,260 5.083,261 3.267,262 2.312,263 3.18,265 6.148,266 2.197,267 3.526,268 2.475,269 5.05,270 3.088,271 2.154,272 2.899,274 5.895,275 1.996,276 3.382,277 2.189,278 4.948,279 2.866,280 1.947,281 2.756,283 5.707,284 1.739,285 2.883,286 1.476,287 4.383,288 2.387,289 1.414,290 2.059,292 4.104,293 1.37,294 2.5,295 1.171,296 3.692,297 2,298 1,299 1.5,301 2.476,302 1,303 2.419,304 1,305 3.414,306 1.91,307 0.97,308 1.384,309 2.275,310 0.868,311 1.467,312 0.44,313 2.822,314 1.018,315 0.111,316 0.144,317 0.267,318 0.094,319 1.098,320 0.145,321 2.651,322 0.686,323 -0.222,324 -0.277,325 -0.495,326 -0.187,327 0.951,328 -0.112,329 2.34,330 0.44,331 -0.476,332 -0.637,333 -1.258,334 -0.391,335 0.633,336 -0.64,337 2.168,338 0.155,339 -0.764,340 -1.045,341 -2.226,342 -0.684,343 0.5,344 -0.732,345 2,347 -1,348 -1.238,349 -2.651,350 -0.85,351 0.286,352 -1,353 1.682,354 -0.12,355 -1,356 -1.5,357 -3,358 -1,359 -0.02,360 -1.091,361 1.539,362 -0.373,363 -1.287,364 -1.677,365 -3.159,366 -1.184,367 9.281,368 0.488,369 0.541,370 0.028,371 28.75,372 1.513,373 17,374 0.895,375 11.75,376 0.618,377 11.003,378 0.579,379 18.919,380 0.652,381 18.495,382 0.973,383 5.73,384 0.302,385 3.401,386 0.179,387 0.149,389 0.377,391 0.888,392 0.858,393 0.569,394 0.664,395 0.995,396 0.669,397 0.637,398 1.185,399 0.615,400 0.937,401 0.562,402 0.887,403 1.086,404 1.132,405 0.968,406 0.958,407 1.029,408 0.988,409 0.982,410 1.014,411 1.061,412 0.949,413 0.941,414 0.997,415 0.609,416 0.872,417 0.994,418 0.936,419 0.527,420 0.915,421 1.049,422 0.905,423 1.743,424 1.254,425 0.914,426 1.235,427 0.987,428 1.014,429 1.294,430 1.229,431 1.012,432 1.23,433 0.667,434 1.11,435 0.626,436 1.227,437 0.789,438 1.107,439 4.5,440 0.041,441 2.444,442 1.063,443 1.44,444 0.646,445 0.281,446 0.22,447 0.151,448 0.04,449 3165,450 10831,451 2.081,452 34.5,454 8,457 2,461 1.603,462 1.932,463 3.025,464 0.341,466 1,469 47.059,470 1.623,471 2.996,472 3.591,473 4.349,474 4.513,475 4.582,476 2.505,477 3.932,478 4.218,479 3.102,480 530.364,481 7.186,482 5030.29,484 1,485 1,486 1,487 140.881,488 1.462,489 4.171,490 0.214,491 0.021,492 0.081,493 0.035,494 0.06,495 0.031,496 0.018,497 0.018,498 0.017,499 0.008,500 0.503,501 0.83,502 1,503 0.644,504 81.316,505 -0.144,506 0.101,507 -0.028,508 0.148,509 -0.224,510 0.096,511 -0.019,512 -0.219,514 -0.117,515 0.037,516 -0.089,517 -0.176,518 -0.13,519 -0.102,520 -0.052,521 -0.144,522 -0.101,523 -0.085,524 0.015,525 -0.006,526 0.019,527 -0.123,528 -0.019,529 0.226,530 0.098,531 0.173,532 0.076,533 0.226,534 0.119,535 -0.086,536 0.011,537 -0.369,538 -0.227,539 -0.061,540 -0.239,541 -0.11,542 -0.1,543 -0.216,544 -0.219,545 -0.152,546 -0.198,547 0.331,548 -0.203,549 0.274,550 -0.197,551 0.316,552 -0.005,553 1.506,554 3.457,555 0.842,556 12.404,557 1.017,558 1.101,559 3.098,560 9.598,561 0.744,562 3.091,563 3.434,564 3.689,565 3.951,566 4.248,567 4.263,568 4.344,569 4.431,570 4.489,571 4.344,572 4.705,573 0.721,574 271.71,575 3.091,576 4.635,577 5.485,578 6.368,579 7.239,580 8.125,581 9.004,582 9.892,583 10.775,584 11.664,585 3.4,591 1,592 2,593 8,594 1,596 5,598 17,602 2,604 1,605 29,606 17,607 2,608 21,610 31,611 15,612 15,613 5,614 7,616 3,617 4,618 1,628 15,637 1,639 10,640 3,641 2,642 4,643 1,645 1,647 0.667,648 2,650 1,654 3,657 1,667 2,671 1,673 19,674 2,687 1,688 6.9,690 2,693 9.833,694 5.16,695 4.083,696 1.59,697 3.376,698 1.506,699 0.966,700 2.952,701 10.044,702 3.418,703 4.111,704 4.751,705 5.39,706 6.047,707 6.369,708 6.816,709 7.264,710 7.702,711 7.858,712 0.833,713 30,714 6.959,715 3.015,716 7.962,717 12.966,718 10.686,719 2.462,720 46.778,723 94.169,724 89.97,725 16.786,726 39.149,727 85.367,730 89.97,731 218.684,732 16.786,735 75.81,736 102.152,737 14.16,739 94.169,740 39.149,741 94.169,742 106.756,743 85.367,744 39.149,746 94.169,747 85.367,749 4.901,750 85.069,751 55.934,753 94.169,754 102.152,755 129.119,756 94.169,757 14.16,758 75.81,760 141.301,761 94.169,762 102.152,763 129.119,764 0.592,765 0.339,766 0.179,767 0.11,768 16,769 7,770 0.032,771 1,772 1,773 1.125,774 3.117,775 143.159,776 0.125,777 16,778 76.711,780 12.117,781 4.629,782 2.313,783 1.428,784 102.152,785 13.395,786 4.5,788 2.496,790 85.367,791 325.44,792 29.5,797 29.498,798 31.937,799 0.334,800 0.617,801 0.739,802 0.895,803 0.929,804 0.943,805 4.637,806 0.97,807 5.485,808 2.476,809 4.111,810 4.796,812 6.293,813 4.022,814 5.884,815 0.111,816 7.045,817 2.275,818 3.761,819 4.691,821 7.168,822 3.578,823 7.21,824 -0.222,825 8.7,826 0.267,827 5.707,828 7.107,830 10.252,831 5.553,832 8.571,833 -0.476,834 10.408,835 -0.495,836 6.111,837 7.782,839 11.928,840 5.871,841 9.958,842 -0.764,843 12.151,844 -1.258,845 7.57,846 9.69,848 14.54,849 7.35,850 11.366,851 -1,852 13.919,853 -2.226,854 8.336,855 10.762,857 16.57,858 8.044,859 12.791,860 -1,861 15.706,862 -2.651,863 9.592,864 12.443,866 19.004,867 9.301,868 3.117,869 -1.287,870 17.506,871 -3,872 10.54,873 13.726,875 21.194,876 10.187,877 2.742,878 10.31,879 19.319,880 -3.159,881 11.71,882 15.302,884 23.557,885 11.342,886 2.312,887 8.819,888 21.141,889 4.509,890 12.748,891 16.694,893 25.818,894 12.325,895 2.154,896 6.148,897 22.971,898 3.767,899 13.885,900 18.224,902 28.154,903 13.435,904 1.947,905 5.895,906 24.807,907 3.18,908 14.967,909 19.671,911 30.449,912 14.466,913 1.414,914 5.707,915 26.649,916 2.899,917 16.094,918 21.182,920 32.776,921 15.557,922 1,923 4.104,924 28.495,925 2.756,926 17.198,927 22.657,929 35.086,930 16.613,931 3103,932 5818,933 13.929,934 21.58,935 31.893,936 32.064,937 32.658,938 31.706,939 31.535,940 44.398,942 92,943 29.898,944 5.195,945 5.279,946 5.949,947 5.12,948 5.117,949 7.509,951 17.204,952 4.987,953 9.046,954 1.519,955 1.527,956 1.555,957 1.51,958 1.502,959 2.114,961 4.381,962 1.424,963 4.091,964 4.11,965 4.136,966 4.029,967 6.474,968 4.032,969 3.861,970 3.881,971 3.814,972 3.8,973 6.468,974 3.798,975 3.441,976 3.463,977 3.572,978 3.346,979 5.042,980 3.345,981 3.036,982 3.069,983 3.223,984 2.918,985 4.621,986 2.92,987 2.914,988 2.929,989 2.837,990 2.735,991 4.509,992 2.751,993 2.854,994 2.925,995 2.687,996 2.733,997 4.112,998 2.715,999 2.611,1000 2.66,1001 2.666,1002 2.451,1003 3.674,1004 2.445,1005 2.434,1006 2.485,1007 2.471,1008 2.18,1009 3.622,1010 2.185,1011 0.217,1012 0.156,1013 0.311,1014 0.194,1015 0.148,1016 4.566,1017 0.215,1018 3.279,1020 6.535,1021 0.491,1022 4.078,1023 0.142,1024 3.117,1025 4.509,1027 10.31,1028 2.987,1029 2.046,1030 2.029,1031 2.097,1032 2.123,1033 1.227,1034 2.119,1035 1.853,1036 1.834,1037 1.954,1038 1.938,1039 1.046,1040 1.944,1041 1.404,1042 1.381,1043 1.515,1044 1.538,1045 0.596,1046 1.534,1047 0.99,1048 0.956,1049 1.181,1050 1.157,1051 0.229,1052 1.165,1053 0.886,1054 0.821,1055 1.168,1056 1.088,1057 0.218,1058 1.107,1059 0.826,1060 0.806,1061 1,1062 1.062,1063 0.045,1064 1.053,1065 0.579,1066 0.53,1067 0.853,1068 0.84,1070 0.843,1071 0.271,1072 0.225,1073 0.576,1074 0.647,1076 0.638,1077 3.761,1078 5.094,1080 6.629,1082 8.258,1084 9.936,1087 6.215,1089 18.744,1100 20.913,1101 47.059,1102 86.881,1103 104.127,1104 126.127,1105 130.881,1106 132.881,1107 27.706,1108 6.668,1109 53.35,1110 53.35,1111 18,1112 12.195,1113 4.17,1114 3.248,1115 27.806,1116 54,1117 55,1118 0.267,1119 132.176,1120 220.95,1121 314.269,1122 5907,1123 3.4,1124 13.405,1125 0.706,1126 0.558,1127 13.905,1128 10.594,1129 9.131,1130 0.435,1131 0.29,1132 5.705,1133 8.635,1134 5.554,1135 4.579,1136 9.42,1137 6.098,1138 8.571,1139 0.286,1140 0.155,1141 8.942,1142 4.645,1143 7.048,1144 0.181,1145 0.083,1146 7.38,1147 3.218,1148 5.757,1149 0.113,1150 0.043,1151 6.112,1152 2.207,1153 5.11,1154 0.074,1155 0.023,1156 5.458,1157 1.574,1158 0.404,1159 59.525,1160 0.268,1161 18.743,1162 0.77,1163 102,1164 306.148,1165 123.781,1166 333.129,1167 444.01,1168 308,1169 120,1170 304.74,1171 137.364,1172 321.385,1173 468.38,1174 303,1175 6.672}
{0 CHEMBL398814,1 1.485,2 9.071,3 4.563,4 20.819,5 104.023,6 8.724,7 0.719,8 3.883,9 3.954,10 3.585,11 3.544,12 5.16,13 3.546,14 4.345,15 4.434,16 3.978,17 3.95,18 5.576,19 3.943,20 4.622,21 4.746,22 4.106,23 4.111,24 5.836,25 4.089,26 4.687,27 4.844,28 4.085,29 4.114,30 5.876,31 4.077,32 4.669,33 4.812,34 4.095,35 4.139,36 5.841,37 4.1,38 4.745,39 4.906,40 4.061,41 4.132,42 5.928,43 4.083,44 4.7,45 4.875,46 3.919,47 4.003,48 5.943,49 3.942,50 4.51,51 4.729,52 3.601,53 3.697,54 5.816,55 3.622,56 0.077,57 0.494,58 5.784,59 3.444,60 16.075,61 3.498,62 0.107,63 0.801,64 9.792,65 5.67,66 13.713,67 6.033,68 0.217,69 1.101,70 15.191,71 7.748,72 35.288,73 8.33,74 0.395,75 1.238,76 18.232,77 8.324,78 52.294,79 9.451,80 0.232,81 1.171,82 16.685,83 8.388,84 36.566,85 9.669,86 0.328,87 1.271,88 19.896,89 9.321,90 49.822,91 10.6,92 0.392,93 1.218,94 20.398,95 9.192,96 56.117,97 10.572,98 0.347,99 1.071,100 19.444,101 7.885,102 60.649,103 9.611,104 11,105 47,106 0.252,107 0.584,108 0.732,109 0.874,110 0.899,111 0.907,112 3.377,113 0.821,114 -3.64,115 -3.61,116 -3.44,118 54.8,124 1,135 10,136 6,137 3,139 2,143 1,146 13,148 8,150 4,151 18,153 8,155 3,156 17,157 1,158 8,159 1,161 2,162 16,164 7,165 1,166 2,167 17,169 7,170 1,171 3,172 17,174 4,175 1,176 4,177 14,178 2,179 2,181 5,182 6,184 2,185 1,187 6,188 2,189 1172,190 19.265,191 19.265,192 19.265,193 19.265,194 19.265,195 16.486,196 15.182,197 11.098,198 19.516,199 15.768,200 15.768,201 15.768,202 15.768,203 15.768,204 11.394,205 15.145,206 5.228,207 16.218,208 3.907,209 1.951,210 1.077,211 0.238,212 0.095,213 0.048,214 4.09,217 1,218 1,219 564,220 2.55,222 238.333,225 220.584,226 1.301,227 30.712,229 1,230 1,231 1,232 1,233 0.4,235 1,236 1,237 0.77,238 60,239 254,240 4.752,241 4.058,242 7.066,243 4.345,244 3.36,245 4.666,246 2.035,247 12.231,248 3.312,249 4.34,250 3.464,251 6.527,252 3.938,253 2.959,254 4.019,255 1.151,256 10.255,257 2.894,258 4.126,259 3.082,260 5.927,261 3.65,262 2.662,263 3.76,265 8.317,266 2.629,267 3.879,268 2.718,269 5.663,270 3.426,271 2.449,272 3.384,274 7.545,275 2.391,276 3.686,277 2.598,278 5.317,279 3.217,280 2.245,281 3.044,283 6.691,284 2.176,285 3.479,286 2.401,287 4.961,288 3.03,289 2.083,290 2.85,292 5.806,293 1.964,294 3.32,295 2.3,296 4.947,297 2.842,298 1.884,299 2.527,301 5.566,302 1.805,303 3.188,304 2.172,305 4.748,306 2.693,307 1.745,308 2.361,309 4.972,310 1.641,311 2.913,312 2.002,313 4.467,314 2.466,315 1.49,316 2.035,317 4.187,318 1.447,319 2.84,320 1.541,321 3.808,322 2.192,323 1.194,324 1.769,325 2.671,326 1.191,327 2.611,328 1.196,329 3.575,330 1.961,331 0.99,332 1.386,333 2.534,334 0.957,335 2.419,336 1.105,337 3.443,338 1.622,339 0.674,340 0.901,341 1.737,342 0.634,343 1.988,344 0.835,345 3.036,346 1.373,347 0.428,348 0.84,349 0.623,350 0.403,351 1.437,352 0.306,353 2.833,354 1.028,355 0.081,356 0.105,357 0.212,358 0.076,359 1.167,360 0.134,361 2.691,362 0.783,363 -0.157,364 -0.194,365 -0.443,366 -0.147,367 13.3,368 0.475,369 0.709,370 0.025,371 44.25,372 1.58,373 26.5,374 0.946,375 17.75,376 0.634,377 18.486,378 0.66,379 26.9,380 0.64,381 33.596,382 1.2,383 8.656,384 0.309,385 4.98,386 0.178,387 0.08,389 0.414,391 0.907,392 0.842,393 0.68,394 0.764,395 0.823,396 0.7,397 0.84,398 0.976,399 0.745,400 0.915,401 0.531,402 0.838,403 0.997,404 1.08,405 0.937,406 1.002,407 0.826,408 0.97,409 0.813,410 0.927,411 0.954,412 0.908,413 0.777,414 0.938,415 0.757,416 1.011,417 0.923,418 1.032,419 0.621,420 1.015,421 0.963,422 0.99,423 1.046,424 1.048,425 0.789,426 1.061,427 0.997,428 1.109,429 1.112,430 1.129,431 0.979,432 1.144,433 0.977,434 0.968,435 1.055,436 1.028,437 1.175,438 1.05,439 5.5,440 0.103,441 3.111,442 2.063,443 2.329,444 1.174,445 0.887,446 0.464,447 0.438,448 0.144,449 8726,450 26439,451 2.177,452 33.3,454 12,457 2,461 1.72,462 2.049,463 3.13,464 0.176,469 62.378,470 1.485,471 3.441,472 4.316,473 5.154,474 5.297,475 5.345,476 2.642,477 4.28,478 4.776,479 3.255,480 1230.5,481 8.363,482 15203.7,484 1,487 226.477,488 1.375,489 4.745,490 0.172,491 0.013,492 0.066,493 0.04,494 0.047,495 0.023,496 0.018,497 0.012,498 0.016,499 0.008,500 0.414,501 0.5,502 0.88,503 0.689,504 135.662,505 -0.112,506 0.064,507 0.001,508 0.106,509 -0.118,510 0.082,511 -0.068,512 -0.064,513 -0.013,514 -0.026,515 0.007,516 -0.013,517 -0.114,518 -0.128,519 -0.092,520 -0.078,521 -0.087,522 -0.082,523 0.052,524 0.085,525 -0.032,526 0.036,527 -0.033,528 0.002,529 0.006,530 -0.059,531 -0.044,532 -0.087,533 0.01,534 -0.078,535 -0.05,536 -0.033,537 -0.087,538 -0.071,539 -0.029,540 -0.082,541 0.007,542 -0.152,543 -0.084,544 -0.125,545 -0.045,546 -0.125,547 0.03,548 0.05,549 0.093,550 0.014,551 0.031,552 0.053,553 1.533,554 4.056,555 0.857,556 22.694,557 1.012,558 1.098,559 2.415,560 5.83,561 0.737,562 3.497,563 3.871,564 4.22,565 4.585,566 4.956,567 5.142,568 5.384,569 5.624,570 5.808,571 5.849,572 5.406,573 0.723,574 366.39,575 3.497,576 5.069,577 5.958,578 6.876,579 7.789,580 8.717,581 9.641,582 10.573,583 11.503,584 12.438,585 4.8,590 1,591 1,592 2,593 10,594 1,596 9,598 23,599 1,602 2,603 1,605 42,606 24,607 3,608 32,610 46,611 23,612 21,613 8,614 10,616 5,617 11,627 1,628 21,629 1,637 1,639 14,640 5,641 2,642 5,645 2,647 0.4,648 3,650 1,654 5,657 3,667 2,673 28,674 2,675 1,677 1,682 1,684 1,686 1,688 7.1,690 2,692 1,693 13.667,694 7.8,695 6.028,696 2.444,697 4.826,698 1.577,699 1.013,700 3.716,701 13.188,702 3.839,703 4.516,704 5.212,705 5.899,706 6.598,707 7.052,708 7.615,709 8.165,710 8.678,711 9.044,712 1,713 52,714 10.31,715 4.594,716 7.887,717 19.377,718 16.531,719 2.387,720 66.833,722 1,723 141.253,724 144.602,725 47.845,727 96.367,730 144.602,731 237.62,732 47.845,734 4.592,735 94.762,736 118.754,737 70.704,739 141.253,741 141.253,742 192.447,743 96.367,746 141.253,747 96.367,749 40.553,750 135.108,751 16.786,753 141.253,754 144.211,755 144.602,756 141.253,757 33.238,758 94.762,759 16.602,760 144.211,761 141.253,762 144.211,763 144.602,764 0.589,765 0.353,766 0.204,767 0.127,768 26,769 11,770 0.022,771 1,772 3,773 1.25,774 3.802,775 274.381,776 0.25,777 24,778 132.606,780 16.615,781 6.263,782 2.687,783 1.523,784 144.211,785 17.397,786 4.819,788 5.609,790 85.367,791 430.066,792 45.5,797 42.487,798 46.116,799 0.275,800 0.638,801 0.8,802 0.956,803 0.982,804 0.991,805 5.098,806 1.745,807 5.964,808 5.566,809 4.554,810 5.204,811 2.479,812 6.841,813 4.501,814 6.35,815 1.49,816 7.556,817 4.972,818 4.205,819 5.094,821 7.849,822 4.13,823 7.687,824 1.194,825 9.249,826 4.187,827 6.205,828 7.517,829 3.658,830 11.014,831 6.116,832 9.059,833 0.99,834 11,835 2.671,836 6.661,837 8.223,839 12.872,840 6.557,841 10.461,842 0.674,843 12.791,844 2.534,845 8.146,846 10.115,847 4.994,848 15.578,849 8.03,850 11.886,851 0.428,852 14.611,853 1.737,854 8.988,855 11.222,857 17.802,858 8.86,859 13.329,860 0.081,861 16.453,862 0.623,863 10.274,864 12.892,865 6.388,866 20.356,867 10.134,868 3.36,869 -0.157,870 18.313,871 0.212,872 11.304,873 14.207,875 22.736,876 11.151,877 2.959,878 12.231,879 20.186,880 -0.443,881 12.517,882 15.783,883 7.8,884 25.242,885 12.351,886 2.662,887 10.255,888 22.071,889 4.666,890 13.634,891 17.203,893 27.687,894 13.455,895 2.449,896 8.317,897 23.966,898 4.019,899 14.826,900 18.742,901 9.218,902 30.18,903 14.634,904 2.245,905 7.545,906 25.869,907 3.76,908 15.985,909 20.216,911 32.653,912 15.779,913 2.083,914 6.691,915 27.779,916 3.384,917 17.174,918 21.744,919 10.638,920 35.145,921 16.955,922 1.884,923 5.806,924 29.694,925 3.044,926 18.353,927 23.245,929 37.631,930 18.12,931 8175,932 14324,933 21.789,934 30.943,935 50.144,936 51.796,937 50.595,938 48.53,939 48.49,940 67.295,941 6.371,942 146.697,943 47.039,944 5.638,945 6.058,946 6.656,947 5.432,948 5.36,949 7.666,950 4.069,951 19.932,952 5.312,953 11.972,954 1.567,955 1.619,956 1.581,957 1.517,958 1.515,959 2.103,960 0.199,961 4.584,962 1.47,963 4.151,964 4.167,965 4.126,966 4.093,967 6.82,968 4.098,969 3.894,970 3.911,971 3.85,972 3.831,973 6.473,974 3.833,975 3.843,976 3.865,977 3.794,978 3.779,979 6.468,980 3.779,981 3.489,982 3.513,983 3.427,984 3.389,985 4.995,986 3.393,987 3.186,988 3.233,989 3.154,990 3.043,991 4.702,992 3.063,993 3.103,994 3.14,995 3.018,996 2.901,997 4.638,998 2.91,999 3.01,1000 3.05,1001 2.929,1002 2.869,1003 4.223,1004 2.887,1005 2.893,1006 2.927,1007 2.784,1008 2.731,1009 4.096,1010 2.736,1011 0.148,1012 0.127,1013 0.221,1014 0.136,1015 0.105,1016 4.752,1017 0.146,1018 4.058,1019 0.064,1020 7.066,1021 0.382,1022 4.345,1023 0.103,1024 3.36,1025 4.666,1026 2.035,1027 12.231,1028 3.312,1029 2.101,1030 2.087,1031 2.151,1032 2.173,1033 1.337,1034 2.167,1035 1.882,1036 1.864,1037 1.972,1038 1.965,1039 1.076,1040 1.967,1041 1.831,1042 1.811,1043 1.925,1044 1.918,1045 1.013,1046 1.921,1047 1.46,1048 1.435,1049 1.605,1050 1.602,1051 0.782,1052 1.601,1053 1.122,1054 1.084,1055 1.248,1056 1.297,1057 0.37,1058 1.277,1059 1.01,1060 0.969,1061 1.219,1062 1.273,1063 0.232,1064 1.247,1065 0.996,1066 0.955,1067 1.184,1068 1.151,1069 0.189,1070 1.168,1071 0.849,1072 0.81,1073 1.095,1074 1.082,1075 0.15,1076 1.075,1077 4.174,1078 5.533,1080 7.109,1082 8.79,1084 10.528,1089 19.826,1090 0.274,1092 5.901,1098 9.31,1099 2.174,1100 30.348,1101 62.378,1102 144.529,1103 181.258,1104 216.477,1105 222.477,1106 224.477,1107 43.982,1108 8.361,1109 86.37,1110 86.37,1111 30,1112 12.938,1113 4.644,1114 3.858,1115 37.232,1116 88,1117 102,1118 0.208,1119 181.948,1120 315.11,1121 435.714,1122 49788,1124 19.25,1125 0.688,1126 0.524,1127 19.25,1128 14.678,1129 13.635,1130 0.426,1131 0.274,1132 8.675,1133 13.264,1134 8.5,1135 6.987,1136 13.635,1137 8.762,1138 12.603,1139 0.268,1140 0.142,1141 12.603,1142 6.677,1143 11.093,1144 0.166,1145 0.074,1146 11.093,1147 4.942,1148 9.854,1149 0.102,1150 0.038,1151 9.854,1152 3.704,1153 9.028,1154 0.064,1155 0.02,1156 9.028,1157 2.784,1158 0.31,1159 84.637,1160 0.214,1161 25.746,1162 0.626,1163 158,1164 457.325,1165 168.498,1166 452.2,1167 625.41,1168 422,1169 193,1170 467.741,1171 203.473,1172 479.056,1173 705.47,1174 452,1175 5.947}
{0 CHEMBL398815,1 1.458,2 9.071,3 4.668,4 21.786,5 104.749,6 8.254,7 0.719,8 3.95,9 4.023,10 3.606,11 3.556,12 5.158,13 3.559,14 4.431,15 4.534,16 3.994,17 3.955,18 5.616,19 3.951,20 4.658,21 4.78,22 4.116,23 4.118,24 5.82,25 4.098,26 4.741,27 4.894,28 4.099,29 4.146,30 5.859,31 4.103,32 4.771,33 4.933,34 4.11,35 4.182,36 5.848,37 4.131,38 4.821,39 4.988,40 4.086,41 4.154,42 5.937,43 4.102,44 4.79,45 4.966,46 3.953,47 4.027,48 5.944,49 3.966,50 4.631,51 4.837,52 3.642,53 3.801,54 5.734,55 3.707,56 0.081,57 0.545,58 7.466,59 4.123,60 12.609,61 4.379,62 0.186,63 0.897,64 13.669,65 6.782,66 18.793,67 7.349,68 0.256,69 1.15,70 17.886,71 8.511,72 32.373,73 9.355,74 0.398,75 1.284,76 20.847,77 9.373,78 39.615,79 11.092,80 0.272,81 1.303,82 21.736,83 10.163,84 31.966,85 12.345,86 0.338,87 1.359,88 23.713,89 10.611,90 41.797,91 12.578,92 0.611,93 1.289,94 24.82,95 10.318,96 56.436,97 12.077,98 0.378,99 1.109,100 22.174,101 9.252,102 41.683,103 11.467,104 11,105 47,106 0.246,107 0.564,108 0.73,109 0.862,110 0.895,111 0.902,112 3.377,113 0.834,114 -3.72,115 -3.68,116 -3.5,118 51.1,123 1,124 1,135 10,136 5,137 4,139 2,146 11,148 9,150 4,151 16,153 8,155 3,156 15,157 1,158 8,159 1,161 2,162 14,164 7,165 1,166 2,167 16,169 4,170 1,171 3,172 15,173 2,174 5,175 1,176 3,177 12,179 2,180 1,181 5,182 4,184 2,187 6,188 2,189 1172,190 19.265,191 19.265,192 19.265,193 19.265,194 19.265,195 16.578,196 16.171,197 11.098,198 19.685,199 15.768,200 15.768,201 15.768,202 15.768,203 15.768,204 11.577,205 17.452,206 5.228,207 16.385,208 4.034,209 2.151,210 1.172,211 0.389,212 0.195,213 0.15,214 4.09,217 1,218 1,219 564,220 2.55,222 238.333,225 220.584,226 1.301,227 28.134,229 1,230 1,231 1,232 1,233 0.6,235 1,236 1,237 0.8,238 60.5,239 254,240 4.751,241 3.466,242 7.066,243 4.345,244 3.36,245 4.666,246 1.151,247 12.231,248 3.311,249 4.338,250 3.091,251 6.527,252 3.937,253 2.959,254 4.019,255 0.86,256 10.255,257 2.891,258 4.081,259 2.854,260 5.927,261 3.636,262 2.662,263 3.723,265 8.317,266 2.592,267 3.843,268 2.68,269 5.663,270 3.415,271 2.449,272 3.363,274 7.545,275 2.361,276 3.6,277 2.468,278 5.317,279 3.197,280 2.245,281 2.992,283 6.691,284 2.128,285 3.477,286 2.339,287 4.961,288 3.029,289 2.083,290 2.85,292 5.806,293 1.962,294 3.244,295 2.181,296 4.947,297 2.836,298 1.884,299 2.503,301 5.566,302 1.787,303 3.073,304 2.075,305 4.748,306 2.684,307 1.745,308 2.289,309 4.972,310 1.626,311 2.893,312 1.599,313 4.467,314 2.461,315 1.49,316 2.034,317 4.187,318 1.441,319 2.664,320 1.245,321 3.808,322 2.186,323 1.194,324 1.74,325 2.671,326 1.183,327 2.419,328 1.106,329 3.575,330 1.961,331 0.99,332 1.386,333 2.534,334 0.957,335 1.989,336 0.937,337 3.443,338 1.621,339 0.674,340 0.868,341 1.737,342 0.633,343 1.584,344 0.832,345 3.036,346 1.293,347 0.428,348 0.481,349 0.623,350 0.367,351 1.437,352 0.306,353 2.833,354 1.028,355 0.081,356 0.105,357 0.212,358 0.076,359 1.167,360 0.134,361 2.691,362 0.783,363 -0.157,364 -0.194,365 -0.443,366 -0.147,367 13.233,368 0.473,369 0.709,370 0.025,371 42,372 1.5,373 24,374 0.857,375 18,376 0.643,377 19.686,378 0.703,379 28.167,380 0.626,381 32.396,382 1.157,383 8.426,384 0.301,385 5.21,386 0.186,387 0.088,389 0.416,391 0.924,392 0.949,393 0.714,394 0.869,395 0.987,396 0.774,397 1.026,398 0.952,399 0.773,400 0.848,401 0.67,402 0.777,403 1.048,404 1.087,405 0.936,406 0.975,407 0.988,408 0.94,409 0.769,410 1.003,411 0.944,412 0.969,413 0.723,414 0.98,415 0.702,416 1.017,417 0.875,418 1.012,419 0.579,420 0.985,421 0.909,422 1.071,423 0.994,424 1.093,425 0.81,426 1.066,427 1.021,428 1.002,429 1.092,430 1.054,431 1.012,432 1.083,433 0.883,434 1.127,435 1.08,436 1.184,437 0.862,438 1.178,439 5.5,440 0.103,441 3.111,442 2.063,443 2.329,444 1.174,445 0.887,446 0.464,447 0.438,448 0.144,449 8726,450 24825,451 2.177,452 37.8,454 15,457 2,461 1.72,462 2.049,463 3.13,464 0.176,469 65.605,470 1.458,471 3.341,472 4.32,473 5.103,474 5.297,475 5.342,476 2.642,477 4.28,478 4.776,479 3.255,480 1230.5,481 8.363,482 15203.7,484 1,487 247.133,488 1.375,489 4.745,490 0.172,491 0.013,492 0.066,493 0.04,494 0.047,495 0.023,496 0.018,497 0.012,498 0.016,499 0.008,500 0.414,501 0.5,502 0.88,503 0.689,504 135.662,505 -0.097,506 0.023,507 0.022,508 0.061,509 -0.175,510 0.065,511 -0.117,512 0.031,513 0.039,514 0.093,516 0.096,517 -0.137,518 -0.086,519 -0.091,520 -0.037,521 -0.126,522 -0.052,523 0.043,524 0.022,525 -0.054,526 -0.022,527 -0.01,528 -0.049,529 0.018,530 -0.034,531 0.019,532 -0.043,533 0.043,534 -0.018,535 -0.027,536 -0.091,537 -0.055,538 -0.124,539 -0.001,540 -0.101,541 0.082,542 -0.035,543 -0.083,544 -0.073,545 -0.014,546 -0.105,547 0.06,548 -0.179,549 -0.034,550 -0.181,551 0.07,552 -0.138,553 1.513,554 4.083,555 0.857,556 22.694,557 1.011,558 1.104,559 2.486,560 6.179,561 0.709,562 3.497,563 3.871,564 4.22,565 4.585,566 4.956,567 5.142,568 5.384,569 5.624,570 5.808,571 5.849,572 5.406,573 0.691,574 371.41,575 3.497,576 5.069,577 5.958,578 6.876,579 7.789,580 8.717,581 9.641,582 10.573,583 11.503,584 12.438,585 2.2,591 1,592 2,593 10,594 1,596 9,598 23,602 2,603 2,605 45,606 23,607 3,608 32,610 49,611 23,612 21,613 8,614 10,616 5,617 11,628 21,629 2,637 1,639 17,640 5,641 2,642 5,645 1,647 0.4,648 4,650 1,654 5,657 3,667 2,670 1,673 28,674 2,675 1,677 2,688 8.9,690 2,692 2,693 13.667,694 8.517,695 6.028,696 2.54,697 4.623,698 1.553,699 1.003,700 3.967,701 12.984,702 3.795,703 4.494,704 5.179,705 5.874,706 6.573,707 7.022,708 7.576,709 8.134,710 8.639,711 8.989,712 1,713 52,714 10.326,715 4.552,716 7.78,717 19.578,718 16.574,719 2.28,720 63.833,722 1,723 176.567,724 140.941,725 16.786,727 107.366,730 140.941,731 283.933,732 16.786,733 10.883,734 4.592,735 94.762,736 102.152,737 52.703,739 176.567,741 176.567,742 157.726,743 107.366,746 176.567,747 107.366,749 9.493,750 131.448,751 16.786,753 176.567,754 124.152,755 140.941,756 176.567,757 35.295,758 105.646,760 124.152,761 176.567,762 124.152,763 140.941,764 0.589,765 0.353,766 0.204,767 0.127,768 26,769 11,770 0.041,771 2,772 3,773 1.25,774 3.802,775 274.381,776 0.25,777 24,778 134.606,780 17.05,781 6.515,782 2.819,783 1.619,784 124.152,785 18.021,786 4.853,788 6.183,790 85.367,791 441.659,792 43.5,797 45.48,798 49.658,799 0.265,800 0.608,801 0.787,802 0.929,803 0.965,804 0.973,805 5.048,806 1.745,807 5.964,808 5.566,809 4.554,810 5.182,811 1.635,812 6.841,813 4.486,814 6.293,815 1.49,816 7.556,817 4.972,818 4.205,819 5.094,821 7.849,822 4.111,823 7.631,824 1.194,825 9.249,826 4.187,827 6.205,828 7.495,829 1.723,830 11.014,831 6.094,832 9.005,833 0.99,834 11,835 2.671,836 6.661,837 8.211,839 12.872,840 6.533,841 10.41,842 0.674,843 12.791,844 2.534,845 8.146,846 10.096,847 1.865,848 15.578,849 8.006,850 11.838,851 0.428,852 14.611,853 1.737,854 8.988,855 11.208,857 17.802,858 8.837,859 13.285,860 0.081,861 16.453,862 0.623,863 10.274,864 12.876,865 2.048,866 20.356,867 10.112,868 3.36,869 -0.157,870 18.313,871 0.212,872 11.304,873 14.194,875 22.736,876 11.13,877 2.959,878 12.231,879 20.186,880 -0.443,881 12.517,882 15.77,883 2.261,884 25.242,885 12.332,886 2.662,887 10.255,888 22.071,889 4.666,890 13.634,891 17.192,893 27.687,894 13.438,895 2.449,896 8.317,897 23.966,898 4.019,899 14.826,900 18.733,901 2.495,902 30.18,903 14.618,904 2.245,905 7.545,906 25.869,907 3.723,908 15.985,909 20.208,911 32.653,912 15.764,913 2.083,914 6.691,915 27.779,916 3.363,917 17.174,918 21.736,919 2.743,920 35.145,921 16.941,922 1.884,923 5.806,924 29.694,925 2.992,926 18.353,927 23.239,929 37.631,930 18.108,931 8175,932 13894,933 21.789,934 31.915,935 48.726,936 49.25,937 50.595,938 48.484,939 48.49,940 66.036,941 4.022,942 146.697,943 46.629,944 5.637,945 5.466,946 6.656,947 5.432,948 5.36,949 7.666,950 2.302,951 19.932,952 5.311,953 11.972,954 1.523,955 1.539,956 1.581,957 1.515,958 1.515,959 2.064,960 0.126,961 4.584,962 1.457,963 4.15,964 4.166,965 4.125,966 4.09,967 6.474,968 4.096,969 3.889,970 3.903,971 3.844,972 3.82,973 6.468,974 3.823,975 3.835,976 3.855,977 3.78,978 3.761,979 5.005,980 3.762,981 3.487,982 3.511,983 3.421,984 3.382,985 4.835,986 3.386,987 3.247,988 3.31,989 3.084,990 2.986,991 4.678,992 2.999,993 3.103,994 3.14,995 3.018,996 2.905,997 4.372,998 2.91,999 3.022,1000 3.059,1001 2.927,1002 2.87,1003 4.219,1004 2.888,1005 2.893,1006 2.927,1007 2.784,1008 2.731,1009 4.096,1010 2.736,1011 0.148,1012 0.108,1013 0.221,1014 0.136,1015 0.105,1016 4.751,1017 0.146,1018 3.466,1019 0.036,1020 7.066,1021 0.382,1022 4.345,1023 0.103,1024 3.36,1025 4.666,1026 1.151,1027 12.231,1028 3.311,1029 2.099,1030 2.085,1031 2.149,1032 2.173,1033 1.336,1034 2.166,1035 1.871,1036 1.856,1037 1.964,1038 1.964,1039 1.074,1040 1.963,1041 1.818,1042 1.798,1043 1.921,1044 1.917,1045 1.009,1046 1.918,1047 1.455,1048 1.431,1049 1.61,1050 1.605,1051 0.781,1052 1.604,1053 1.195,1054 1.125,1055 1.563,1056 1.502,1057 0.574,1058 1.522,1059 1.012,1060 0.971,1061 1.237,1062 1.278,1063 0.366,1064 1.253,1065 1.007,1066 0.969,1067 1.184,1068 1.157,1069 0.232,1070 1.173,1071 0.849,1072 0.81,1073 1.103,1074 1.082,1075 0.161,1076 1.075,1077 4.174,1078 5.533,1080 7.109,1082 8.79,1084 10.528,1086 1.636,1089 19.87,1090 0.316,1092 11.336,1100 31.095,1101 65.605,1102 150.33,1103 194.404,1104 229.624,1105 238.379,1106 240.379,1107 40.961,1108 8.361,1109 71.81,1110 71.81,1111 30,1112 12.938,1113 4.585,1114 3.644,1115 37.232,1116 88,1117 102,1118 0.208,1119 185.005,1120 318.18,1121 443.173,1122 49788,1124 19.25,1125 0.688,1126 0.541,1127 19.25,1128 15.139,1129 13.635,1130 0.426,1131 0.278,1132 8.78,1133 13.15,1134 8.57,1135 7.063,1136 13.635,1137 8.901,1138 12.603,1139 0.268,1140 0.143,1141 12.603,1142 6.717,1143 11.093,1144 0.166,1145 0.075,1146 11.093,1147 5.02,1148 9.854,1149 0.102,1150 0.039,1151 9.854,1152 3.738,1153 9.028,1154 0.064,1155 0.02,1156 9.028,1157 2.815,1158 0.31,1159 85.399,1160 0.214,1161 25.746,1162 0.626,1163 158,1164 461.416,1165 170.683,1166 444.588,1167 619.09,1168 418,1169 193,1170 464.878,1171 205.465,1172 473.688,1173 700.21,1174 446,1175 6.086}
{0 CHEMBL402491,1 1.665,2 8.095,3 3.83,4 14.668,5 77.954,6 9.668,7 0.708,8 3.609,9 3.667,10 3.385,11 3.246,12 4.866,13 3.256,14 4.076,15 4.153,16 3.817,17 3.657,18 5.344,19 3.66,20 4.335,21 4.44,22 3.992,23 3.804,24 5.599,25 3.789,26 4.371,27 4.512,28 3.956,29 3.724,30 5.654,31 3.681,32 4.155,33 4.297,34 3.731,35 3.555,36 5.418,37 3.503,38 4.032,39 4.181,40 3.407,41 3.373,42 5.252,43 3.296,44 3.865,45 4.045,46 3.07,47 3.083,48 5.08,49 2.997,50 3.521,51 3.726,52 2.75,53 2.627,54 4.807,55 2.565,56 0.127,57 0.371,58 3.502,59 2.561,60 14.6,61 2.391,62 0.194,63 0.607,64 6.242,65 4.244,66 12.548,67 4.179,68 0.333,69 0.798,70 10.291,71 5.734,72 33.796,73 5.508,74 0.606,75 0.826,76 18.479,77 6.346,78 51.015,79 6.461,80 0.373,81 0.653,82 12.81,83 5.327,84 37.713,85 5.78,86 0.328,87 0.561,88 13.213,89 4.92,90 35.167,91 5.273,92 0.354,93 0.481,94 12.076,95 4.346,96 34.784,97 4.86,98 0.245,99 0.343,100 8.44,101 3.173,102 23.561,103 3.707,104 10,105 36,106 0.308,107 0.667,108 0.764,109 0.868,110 0.892,111 0.904,112 3.106,113 0.848,114 -3.37,115 -3.35,116 -3.21,118 51.6,124 1,135 6,136 3,137 4,139 2,146 4,148 7,150 4,151 9,153 4,155 3,156 6,157 1,158 6,159 1,161 1,162 7,164 1,165 1,166 2,167 7,169 1,170 1,171 1,172 8,174 1,175 1,176 1,177 4,181 4,187 4,189 453,190 14.171,191 14.171,192 14.171,193 14.171,194 14.171,195 12.093,196 12.114,197 8.036,198 14.497,199 11.837,200 11.837,201 11.837,202 11.837,203 11.837,204 8.656,205 12.088,206 3.831,207 12.463,208 3.289,209 1.348,210 0.823,211 0.258,212 0.129,213 0.065,214 3.804,215 1,216 1,217 1,218 1,219 379,220 2.121,222 124.772,225 152.955,226 1.261,227 26.507,230 1,231 0.83,232 1,233 0.4,235 1,236 1,237 0.75,238 45.833,239 170,240 4.696,241 3.519,242 6.916,243 4.261,244 3.3,245 4.611,246 1.151,247 11.608,248 3.162,249 4.316,250 3.108,251 6.423,252 3.877,253 2.909,254 4.013,256 9.866,257 2.81,258 3.869,259 2.701,260 5.816,261 3.435,262 2.47,263 3.401,265 7.856,266 2.374,267 3.547,268 2.49,269 5.316,270 3.113,271 2.179,272 2.932,274 6.486,275 2.015,276 3.472,277 2.337,278 4.957,279 3.015,280 2.073,281 2.849,283 5.804,284 1.942,285 3.209,286 2.176,287 4.873,288 2.779,289 1.852,290 2.467,292 5.371,293 1.699,294 2.901,295 1.962,296 4.514,297 2.506,298 1.558,299 2.037,301 4.337,302 1.464,303 2.461,304 1.22,305 3.82,306 1.977,307 1.007,308 1.445,309 2.607,310 0.967,311 2.082,312 1.1,313 3.541,314 1.727,315 0.839,316 1.011,317 2.064,318 0.698,319 1.515,320 0.611,321 3.007,322 1.06,323 0.183,324 0.232,325 0.458,326 0.145,327 1.181,328 0.274,329 2.831,330 0.787,331 -0.108,332 -0.129,333 -0.276,334 -0.092,335 1.08,336 0.037,337 2.506,338 0.678,339 -0.251,340 -0.322,341 -0.622,342 -0.23,343 0.671,344 -0.259,345 2.373,346 0.229,347 -0.712,348 -0.884,349 -1.978,350 -0.597,351 0.626,352 -0.482,353 2.346,354 0.153,355 -0.762,356 -0.998,357 -2.161,358 -0.69,359 0.36,360 -0.744,361 2.137,362 -0.029,363 -0.939,364 -1.214,365 -2.612,366 -0.83,367 10.114,368 0.482,369 0.627,370 0.03,371 31.25,372 1.488,373 17.5,374 0.833,375 13.75,376 0.655,377 13.746,378 0.655,379 21.086,380 0.68,381 20.853,382 0.993,383 6.14,384 0.292,385 3.991,386 0.19,387 0.137,389 0.445,391 0.899,392 0.896,393 0.548,394 0.706,395 0.969,396 0.66,397 0.854,398 1.074,399 0.6,400 0.844,401 0.612,402 0.778,403 1.065,404 1.2,405 0.843,406 0.935,407 0.998,408 0.931,409 0.93,410 0.941,411 1.307,412 1.031,413 0.853,414 1.019,415 0.801,416 0.961,417 1.028,418 1.02,419 0.667,420 1.018,421 1.046,422 0.998,423 1.422,424 1.214,425 1.022,426 1.244,427 0.981,428 0.939,429 1.22,430 1.123,431 1.072,432 1.182,433 0.845,434 0.988,435 0.704,436 1.108,437 0.886,438 1.069,439 4.5,440 0.041,441 2.889,442 1.688,443 2.067,444 0.75,445 0.461,446 0.208,447 0.172,448 0.04,449 4076,450 13710,451 2.155,452 32.3,454 8,457 2,461 1.636,462 2,463 2.99,464 0.331,466 1,468 1,469 51.606,470 1.665,471 3.607,472 4.131,473 4.696,474 4.825,475 4.89,476 2.506,477 4.297,478 4.364,479 3.052,480 640.977,481 7.498,482 6343.58,484 1,485 1,486 1,487 153.58,488 1.449,489 4.318,490 0.188,491 0.021,492 0.08,493 0.043,494 0.063,495 0.028,496 0.023,497 0.015,498 0.019,499 0.008,500 0.487,501 0.67,502 1,503 0.61,504 91.771,505 -0.141,506 0.064,507 -0.021,508 0.113,509 -0.203,510 0.09,511 -0.098,512 -0.104,513 0.011,514 -0.003,515 -0.002,516 0.015,517 -0.169,518 -0.206,519 -0.03,520 -0.043,521 -0.151,522 -0.079,523 0.078,524 0.091,525 -0.081,526 -0.05,527 -0.019,528 -0.065,529 0.072,530 0.001,531 0.044,532 -0.039,533 0.118,534 -0.031,535 -0.101,536 -0.071,537 -0.26,538 -0.202,539 -0.092,540 -0.227,541 0.033,542 -0.009,543 -0.12,544 -0.076,545 -0.046,546 -0.081,547 0.177,548 -0.067,549 0.278,550 -0.043,551 0.232,552 0.108,553 1.52,554 3.602,555 0.857,556 13.224,557 1.027,558 1.102,559 2.141,560 4.586,561 0.743,562 3.219,563 3.611,564 3.951,565 4.29,566 4.635,567 4.771,568 4.949,569 5.142,570 5.278,571 5.215,572 4.593,573 0.73,574 299.72,575 3.219,576 4.796,577 5.687,578 6.605,579 7.516,580 8.439,581 9.357,582 10.282,583 11.203,584 12.13,585 3.2,591 1,592 2,593 6,594 1,596 7,598 17,602 2,603 1,604 1,605 31,606 17,607 2,608 24,610 34,611 16,612 15,613 6,614 6,616 4,617 10,618 1,628 15,629 1,637 1,639 10,640 4,641 2,642 5,643 1,645 1,647 0.25,648 3,650 1,654 4,657 3,667 1,671 1,673 21,674 2,675 1,677 1,687 1,688 9.7,690 2,692 1,693 10.5,694 5.66,695 4.417,696 1.75,697 3.633,698 1.481,699 0.997,700 2.739,701 11.18,702 3.512,703 4.234,704 4.914,705 5.587,706 6.263,707 6.674,708 7.159,709 7.669,710 8.136,711 8.367,712 0.833,713 39,714 7.735,715 3.478,716 7.934,717 14.452,718 12.374,719 2.434,720 51.111,723 94.169,724 84.039,725 16.786,726 39.149,727 96.367,730 84.039,731 229.684,732 16.786,734 4.592,735 56.857,736 102.152,737 33.589,739 94.169,740 39.149,741 94.169,742 100.824,743 96.367,744 39.149,746 94.169,747 96.367,749 9.493,750 74.546,751 55.934,753 94.169,754 113.152,755 123.188,756 94.169,757 27.181,758 56.857,760 152.301,761 94.169,762 113.152,763 123.188,764 0.601,765 0.36,766 0.202,767 0.123,768 21,769 9,772 3,773 1.333,774 3.244,775 179.791,776 0.333,777 18,778 92.239,780 12.743,781 4.513,782 1.926,783 1.402,784 113.152,785 9.819,786 4.632,788 3.745,790 85.367,791 330.508,792 32.5,797 31.825,798 34.147,799 0.336,800 0.728,801 0.834,802 0.948,803 0.974,804 0.987,805 4.773,806 1.007,807 5.707,808 4.337,809 4.29,810 4.92,811 1.294,812 6.589,813 4.188,814 6.032,815 0.839,816 7.31,817 2.607,818 4.007,819 4.913,821 7.597,822 3.842,823 7.38,824 0.183,825 9.01,826 2.064,827 5.953,828 7.261,829 1.506,830 10.748,831 5.778,832 8.764,833 -0.108,834 10.766,835 0.458,836 6.447,837 8.034,839 12.567,840 6.208,841 10.177,842 -0.251,843 12.559,844 -0.276,845 7.906,846 9.889,847 1.731,848 15.257,849 7.657,850 11.611,851 -0.712,852 14.377,853 -0.622,854 8.766,855 11.037,857 17.424,858 8.458,859 13.063,860 -0.762,861 16.215,862 -1.978,863 10.038,864 12.69,865 1.968,866 19.952,867 9.711,868 3.3,869 -0.939,870 18.067,871 -2.161,872 11.072,873 14.027,875 22.269,876 10.691,877 2.909,878 11.608,879 19.932,880 -2.612,881 12.275,882 15.595,883 2.214,884 24.738,885 11.865,886 2.47,887 9.866,888 21.806,889 4.611,890 13.387,891 17.024,893 27.123,894 12.929,895 2.179,896 7.856,897 23.688,898 4.013,899 14.569,900 18.557,901 2.468,902 29.571,903 14.074,904 2.073,905 6.486,906 25.577,907 3.401,908 15.717,909 20.031,911 31.986,912 15.177,913 1.852,914 5.804,915 27.471,916 2.932,917 16.894,918 21.552,919 2.727,920 34.43,921 16.314,922 1.558,923 5.371,924 29.37,925 2.849,926 18.06,927 23.049,929 36.859,930 17.435,931 3869,932 7180,933 16.126,934 23.034,935 37.051,936 37.789,937 38.365,938 36.833,939 36.74,940 49.996,941 2.302,942 112.912,943 34.552,944 5.579,945 5.519,946 6.219,947 5.347,948 5.3,949 7.611,950 2.302,951 19.294,952 5.162,953 9.542,954 1.544,955 1.575,956 1.599,957 1.535,958 1.531,959 2.083,960 0.096,961 4.705,962 1.44,963 4.121,964 4.136,965 4.165,966 4.054,967 6.473,968 4.06,969 3.871,970 3.884,971 3.84,972 3.802,973 6.468,974 3.805,975 3.5,976 3.521,977 3.584,978 3.405,979 5.054,980 3.405,981 3.103,982 3.14,983 3.266,984 2.917,985 4.716,986 2.921,987 3.022,988 3.045,989 3.018,990 2.869,991 4.537,992 2.889,993 2.893,994 2.926,995 2.786,996 2.73,997 4.204,998 2.736,999 2.717,1000 2.778,1001 2.667,1002 2.583,1003 4.089,1004 2.572,1005 2.495,1006 2.527,1007 2.57,1008 2.219,1009 3.615,1010 2.229,1011 0.196,1012 0.147,1013 0.288,1014 0.178,1015 0.137,1016 4.696,1017 0.192,1018 3.519,1019 0.048,1020 6.916,1021 0.484,1022 4.261,1023 0.132,1024 3.3,1025 4.611,1026 1.151,1027 11.608,1028 3.162,1029 2.065,1030 2.052,1031 2.107,1032 2.147,1033 1.282,1034 2.139,1035 1.85,1036 1.836,1037 1.936,1038 1.943,1039 1.051,1040 1.94,1041 1.467,1042 1.445,1043 1.605,1044 1.608,1045 0.787,1046 1.608,1047 1.01,1048 0.969,1049 1.214,1050 1.278,1051 0.326,1052 1.252,1053 0.978,1054 0.949,1055 1.167,1056 1.129,1057 0.222,1058 1.147,1059 0.844,1060 0.808,1061 1.083,1062 1.081,1063 0.148,1064 1.07,1065 0.716,1066 0.664,1067 0.928,1068 0.924,1069 0.018,1070 0.943,1071 0.35,1072 0.317,1073 0.656,1074 0.761,1076 0.724,1077 3.892,1078 5.263,1080 6.849,1082 8.54,1084 10.285,1087 6.449,1089 19.14,1090 0.281,1092 5.644,1100 22.627,1101 51.606,1102 111.806,1103 128.07,1104 145.58,1105 149.58,1106 151.58,1107 31.467,1108 7.547,1109 62.58,1110 62.58,1111 24,1112 12.635,1113 4.17,1114 3.248,1115 27.881,1116 59,1117 59,1118 0.249,1119 138.371,1120 234.68,1121 329.385,1122 17934,1123 3.2,1124 14.56,1125 0.693,1126 0.55,1127 15.06,1128 11.555,1129 10.131,1130 0.422,1131 0.283,1132 6.357,1133 9.527,1134 6.211,1135 5.068,1136 10.42,1137 6.784,1138 9.684,1139 0.269,1140 0.147,1141 10.018,1142 5.301,1143 8.51,1144 0.167,1145 0.079,1146 8.938,1147 4.024,1148 7.45,1149 0.103,1150 0.04,1151 7.861,1152 2.878,1153 6.695,1154 0.066,1155 0.021,1156 7.057,1157 2.11,1158 0.37,1159 66.433,1160 0.249,1161 20.098,1162 0.748,1163 120,1164 371.883,1165 145.324,1166 388.972,1167 525.43,1168 362,1169 147,1170 369.195,1171 170.469,1172 383.866,1173 570.6,1174 362,1175 7.056}
{0 CHEMBL402492,1 1.579,2 8.136,3 3.044,4 9.268,5 78.887,6 9.072,7 0.68,8 3.633,9 3.696,10 3.358,11 3.261,12 4.956,13 3.282,14 4.087,15 4.169,16 3.755,17 3.661,18 5.366,19 3.675,20 4.352,21 4.463,22 3.885,23 3.81,24 5.632,25 3.815,26 4.401,27 4.553,28 3.822,29 3.754,30 5.713,31 3.743,32 4.276,33 4.436,34 3.684,35 3.62,36 5.684,37 3.606,38 4.115,39 4.271,40 3.432,41 3.428,42 5.544,43 3.393,44 3.962,45 4.157,46 3.086,47 3.152,48 5.283,49 3.091,50 3.606,51 3.823,52 2.667,53 2.697,54 4.903,55 2.645,56 0.11,57 0.4,58 4.032,59 2.625,60 17.98,61 2.394,62 0.161,63 0.643,64 6.84,65 4.286,66 15.967,67 4.166,68 0.283,69 0.862,70 10.485,71 5.652,72 39.872,73 5.454,74 0.427,75 0.951,76 12.994,77 5.96,78 50.193,79 6.311,80 0.351,81 0.854,82 11.665,83 5.286,84 57.696,85 5.746,86 0.302,87 0.687,88 9.942,89 4.738,90 55.566,91 5.148,92 0.331,93 0.594,94 10.341,95 4.268,96 47.053,97 4.809,98 0.186,99 0.406,100 8.112,101 3.169,102 29.212,103 3.732,104 11,105 37,106 0.287,107 0.671,108 0.763,109 0.862,110 0.885,111 0.896,112 3.149,113 0.803,114 -2.51,115 -2.53,116 -2.48,118 53.1,124 1,135 6,136 4,137 3,139 2,143 1,146 6,148 8,150 4,151 8,153 8,155 3,156 7,157 1,158 5,159 1,161 2,162 7,163 2,164 3,165 1,166 1,167 7,169 3,170 2,171 1,172 6,174 3,175 1,176 2,177 4,181 3,185 1,187 4,189 516,190 15.041,191 15.041,192 15.041,193 15.041,194 15.041,195 12.924,196 13.776,197 8.573,198 15.293,199 12.285,200 12.285,201 12.285,202 12.285,203 12.285,204 8.917,205 13.778,206 3.988,207 12.734,208 3.421,209 1.305,210 0.797,211 0.25,212 0.125,213 0.063,214 3.849,216 1,217 1,218 1,219 396,220 2.345,222 132.49,225 163.065,226 1.252,227 28.952,229 1,230 1,231 0.83,232 1,233 0.4,235 1,236 1,237 0.75,238 48,239 179,240 4.72,241 4.091,242 6.95,243 4.293,244 3.312,245 4.636,246 2.035,247 11.785,248 3.249,249 4.324,250 3.388,251 6.449,252 3.895,253 2.917,254 4.014,255 1.151,256 9.985,257 2.85,258 3.905,259 3.015,260 5.829,261 3.454,262 2.479,263 3.43,265 7.912,266 2.414,267 3.674,268 2.674,269 5.372,270 3.174,271 2.211,272 3.022,274 6.673,275 2.12,276 3.478,277 2.421,278 4.957,279 3.023,280 2.077,281 2.85,283 5.804,284 1.958,285 3.263,286 2.3,287 4.884,288 2.792,289 1.857,290 2.479,292 5.406,293 1.731,294 3.122,295 2.169,296 4.529,297 2.533,298 1.579,299 2.04,301 4.382,302 1.495,303 2.894,304 1.823,305 3.881,306 2.06,307 1.075,308 1.678,309 2.7,310 1.057,311 2.436,312 1.122,313 3.662,314 1.913,315 0.958,316 1.301,317 2.323,318 0.908,319 2.02,320 1.061,321 3.084,322 1.374,323 0.452,324 0.683,325 0.906,326 0.414,327 1.454,328 0.511,329 2.835,330 0.928,335 1.166,336 0.266,337 2.563,338 0.714,339 -0.229,340 -0.305,341 -0.58,342 -0.214,343 1.07,344 0.037,345 2.444,346 0.63,347 -0.302,348 -0.432,349 -0.658,350 -0.279,351 0.669,352 -0.3,353 2.362,354 0.229,355 -0.723,356 -0.937,357 -2.055,358 -0.672,359 0.596,360 -0.509,361 2.325,362 0.115,363 -0.83,364 -1.09,365 -2.273,366 -0.768,367 10.3,368 0.468,369 0.589,370 0.027,371 34.75,372 1.58,373 20.5,374 0.932,375 14.25,376 0.648,377 12.959,378 0.589,379 21.5,380 0.672,381 24.069,382 1.094,383 6.783,384 0.308,385 3.886,386 0.177,387 0.104,389 0.437,391 0.941,392 0.869,393 0.668,394 0.767,395 0.84,396 0.68,397 0.872,398 0.996,399 0.704,400 0.913,401 0.541,402 0.806,403 1.052,404 1.114,405 0.935,406 1.003,407 0.872,408 0.957,409 0.85,410 1.073,411 0.976,412 0.983,413 0.796,414 0.995,415 0.826,416 0.948,417 0.967,418 0.971,419 0.972,420 0.989,421 0.886,422 1.069,423 1.117,424 1.153,425 0.976,426 1.192,427 0.94,428 0.97,429 1.204,430 1.075,431 1.24,432 1.168,433 1.132,434 0.986,435 1.094,436 1.103,437 1.228,438 1.09,439 4.5,440 0.041,441 2.889,442 1.688,443 2.107,444 0.924,445 0.541,446 0.224,447 0.217,448 0.04,449 4497,450 14767,451 2.148,452 31.3,454 8,457 2,461 1.651,462 2,463 2.987,464 0.304,466 1,468 1,469 50.539,470 1.579,471 3.695,472 4.203,473 4.75,474 4.875,475 4.938,476 2.495,477 4.278,478 4.431,479 3.064,480 707.73,481 7.644,482 7269.74,483 1,484 1,485 1,486 1,487 160,488 1.437,489 4.388,490 0.18,491 0.021,492 0.078,493 0.041,494 0.057,495 0.029,496 0.023,497 0.014,498 0.022,499 0.007,500 0.471,501 0.67,502 1,503 0.797,504 97.679,505 -0.146,506 0.056,507 -0.019,508 0.119,509 -0.132,510 0.092,511 -0.094,512 -0.071,513 0.003,514 -0.012,515 0.001,516 0.012,517 -0.162,518 -0.155,519 -0.116,520 -0.083,521 -0.129,522 -0.089,523 0.039,524 -0.052,525 -0.038,526 -0.044,527 -0.032,528 -0.054,529 0.042,530 0.086,531 -0.014,532 -0.029,533 0.02,534 -0.035,535 0.032,536 -0.108,537 -0.137,538 -0.18,539 0.066,540 -0.204,541 0.045,542 -0.003,543 -0.071,544 -0.049,545 -0.117,546 -0.072,547 -0.073,548 -0.051,549 0.158,550 -0.027,551 -0.046,552 0.095,553 1.576,554 3.646,555 0.818,556 14.446,557 1.022,558 1.103,559 1.278,560 1.634,561 0.732,562 3.258,563 3.638,564 3.989,565 4.344,566 4.691,567 4.836,568 5.024,569 5.22,570 5.352,571 5.288,572 4.666,573 0.728,574 290.29,575 3.258,576 4.828,577 5.72,578 6.64,579 7.553,580 8.479,581 9.4,582 10.327,583 11.252,584 12.181,585 6.3,590 1,591 1,592 2,593 6,594 1,596 7,598 17,599 1,602 2,603 1,605 32,606 18,607 2,608 25,610 35,611 17,612 15,613 6,614 6,616 4,617 10,627 1,628 15,629 1,636 1,637 1,639 10,640 5,641 2,642 5,645 2,647 0.25,648 3,650 1,654 4,657 3,667 1,673 22,674 2,675 1,677 1,682 1,684 1,686 1,688 9.4,690 2,692 1,693 11,694 5.967,695 4.75,696 1.826,697 3.796,698 1.497,699 0.988,700 2.717,701 11.428,702 3.597,703 4.277,704 4.978,705 5.675,706 6.357,707 6.788,708 7.292,709 7.805,710 8.255,711 8.507,712 0.833,713 41,714 8.093,715 3.63,716 8.023,717 15,718 12.74,719 2.523,720 55.5,723 94.169,724 100.326,725 47.845,727 96.367,730 100.326,731 190.535,732 47.845,734 4.592,735 56.857,736 118.754,737 64.333,739 94.169,741 94.169,742 148.171,743 96.367,746 94.169,747 96.367,749 40.553,750 90.832,751 16.786,753 94.169,754 144.211,755 100.326,756 94.169,757 26.866,758 56.857,759 16.602,760 144.211,761 94.169,762 144.211,763 100.326,764 0.591,765 0.361,766 0.211,767 0.129,768 21,769 9,772 3,773 1.333,774 3.306,775 191.835,776 0.333,777 18,778 96.107,780 12.936,781 4.621,782 1.911,783 1.237,784 144.211,785 9.58,786 4.613,788 3.318,790 85.367,791 338.706,792 35.5,797 32.72,798 35.286,799 0.316,800 0.739,801 0.841,802 0.95,803 0.975,804 0.988,805 4.862,806 1.075,807 5.733,808 4.382,809 4.317,810 4.963,811 2.479,812 6.619,813 4.25,814 6.121,815 0.958,816 7.335,817 2.7,818 4.007,819 4.913,821 7.644,822 3.916,823 7.466,824 0.452,825 9.035,826 2.323,827 5.979,828 7.298,829 3.658,830 10.797,831 5.866,832 8.845,834 10.793,835 0.906,836 6.463,837 8.055,839 12.645,840 6.336,841 10.253,842 -0.229,843 12.589,845 7.933,846 9.925,847 4.994,848 15.335,849 7.787,850 11.684,851 -0.302,852 14.41,853 -0.58,854 8.792,855 11.072,857 17.529,858 8.633,859 13.133,860 -0.723,861 16.252,862 -0.658,863 10.069,864 12.731,865 6.388,866 20.062,867 9.892,868 3.312,869 -0.83,870 18.109,871 -2.055,872 11.105,873 14.072,875 22.403,876 10.913,877 2.917,878 11.785,879 19.978,880 -2.273,881 12.312,882 15.643,883 7.8,884 24.881,885 12.103,886 2.479,887 9.985,888 21.857,889 4.636,890 13.428,891 17.078,893 27.286,894 13.202,895 2.211,896 7.912,897 23.744,898 4.014,899 14.613,900 18.615,901 9.218,902 29.747,903 14.369,904 2.077,905 6.673,906 25.637,907 3.43,908 15.765,909 20.096,911 32.179,912 15.503,913 1.857,914 5.804,915 27.536,916 3.022,917 16.946,918 21.622,919 10.638,920 34.636,921 16.666,922 1.579,923 5.406,924 29.44,925 2.85,926 18.116,927 23.125,929 37.083,930 17.817,931 4298,932 7868,933 16.819,934 23.421,935 39.341,936 41.343,937 39.996,938 37.9,939 37.835,940 52.264,941 6.371,942 115.757,943 36.392,944 5.604,945 6.091,946 6.455,947 5.38,948 5.312,949 7.636,950 4.069,951 19.473,952 5.249,953 10.005,954 1.574,955 1.654,956 1.6,957 1.516,958 1.513,959 2.091,960 0.255,961 4.63,962 1.456,963 4.128,964 4.145,965 4.105,966 4.06,967 6.82,968 4.069,969 3.873,970 3.886,971 3.83,972 3.803,973 6.473,974 3.807,975 3.526,976 3.551,977 3.47,978 3.428,979 6.468,980 3.434,981 3.199,982 3.241,983 3.171,984 3.026,985 4.969,986 3.054,987 3.103,988 3.14,989 3.018,990 2.875,991 4.677,992 2.9,993 2.893,994 2.93,995 2.787,996 2.732,997 4.224,998 2.736,999 2.794,1000 2.851,1001 2.71,1002 2.631,1003 4.096,1004 2.643,1005 2.715,1006 2.772,1007 2.57,1008 2.57,1009 3.816,1010 2.566,1011 0.189,1012 0.164,1013 0.278,1014 0.172,1015 0.132,1016 4.72,1017 0.185,1018 4.091,1019 0.081,1020 6.95,1021 0.471,1022 4.293,1023 0.13,1024 3.312,1025 4.636,1026 2.035,1027 11.785,1028 3.249,1029 2.077,1030 2.062,1031 2.123,1032 2.159,1033 1.29,1034 2.148,1035 1.852,1036 1.838,1037 1.938,1038 1.945,1039 1.052,1040 1.941,1041 1.497,1042 1.473,1043 1.628,1044 1.631,1045 0.791,1046 1.628,1047 1.112,1048 1.076,1049 1.267,1050 1.325,1051 0.34,1052 1.299,1053 1.01,1054 0.969,1055 1.188,1056 1.265,1057 0.224,1058 1.234,1059 0.852,1060 0.811,1061 1.092,1062 1.082,1063 0.148,1064 1.078,1065 0.757,1066 0.695,1067 0.973,1068 0.963,1069 0.022,1070 0.975,1071 0.691,1072 0.647,1073 0.859,1074 0.921,1076 0.92,1077 3.932,1078 5.293,1080 6.876,1082 8.567,1084 10.315,1089 19.205,1090 0.202,1092 5.639,1098 9.52,1099 2.187,1100 23.294,1101 50.539,1102 118.226,1103 134.49,1104 152,1105 156,1106 158,1107 35.588,1108 7.632,1109 86.37,1110 86.37,1111 24,1112 12.684,1113 4.248,1114 3.524,1115 29.688,1116 63,1117 64,1118 0.249,1119 140.57,1120 242.49,1121 334.751,1122 19794,1124 15.267,1125 0.694,1126 0.517,1127 15.267,1128 11.368,1129 10.669,1130 0.427,1131 0.268,1132 6.604,1133 10.297,1134 6.484,1135 5.315,1136 10.669,1137 6.69,1138 9.897,1139 0.267,1140 0.138,1141 9.897,1142 5.096,1143 8.731,1144 0.165,1145 0.071,1146 8.731,1147 3.773,1148 7.814,1149 0.103,1150 0.036,1151 7.814,1152 2.758,1153 7.064,1154 0.065,1155 0.019,1156 7.064,1157 2.023,1158 0.369,1159 66.839,1160 0.244,1161 20.89,1162 0.753,1163 124,1164 389.325,1165 134.498,1166 380.619,1167 520.63,1168 354,1169 152,1170 385.741,1171 162.473,1172 392.798,1173 578.81,1174 370,1175 7.009}
{0 CHEMBL402493,1 1.468,2 8.136,3 4.108,4 16.875,5 82.792,6 7.928,7 0.68,8 3.747,9 3.829,10 3.367,11 3.345,12 4.923,13 3.338,14 4.242,15 4.365,16 3.765,17 3.75,18 5.393,19 3.733,20 4.491,21 4.638,22 3.891,23 3.901,24 5.623,25 3.874,26 4.544,27 4.707,28 3.833,29 3.902,30 5.649,31 3.848,32 4.581,33 4.773,34 3.71,35 3.868,36 5.606,37 3.785,38 4.541,39 4.755,40 3.478,41 3.717,42 5.59,43 3.61,44 4.328,45 4.558,46 3.136,47 3.444,48 5.381,49 3.307,50 4.015,51 4.295,52 2.706,53 3.016,54 4.958,55 2.86,56 0.061,57 0.469,58 6.772,59 3.505,60 11.197,61 3.939,62 0.096,63 0.78,64 12.227,65 5.872,66 14.335,67 6.966,68 0.19,69 1.006,70 16.93,71 7.391,72 29.237,73 8.805,74 0.329,75 1.078,76 18.181,77 7.692,78 34.633,79 9.489,80 0.265,81 1.097,82 20.136,83 8.414,84 32.137,85 10.64,86 0.355,87 1.023,88 20.942,89 8.141,90 45.875,91 10.199,92 0.334,93 0.804,94 17.607,95 6.878,96 43.125,97 8.878,98 0.155,99 0.585,100 13.965,101 5.257,102 22.596,103 7.229,104 11,105 37,106 0.262,107 0.634,108 0.775,109 0.859,110 0.878,111 0.888,112 3.149,113 0.873,114 -3.61,115 -3.58,116 -3.41,118 48.6,119 1,120 1,124 1,135 6,136 4,137 3,139 2,146 8,148 7,150 4,151 11,153 6,155 3,156 10,157 1,158 6,159 1,161 2,162 10,164 3,165 1,166 2,167 11,169 1,170 1,171 2,172 10,174 1,175 1,176 2,177 6,181 4,187 5,189 516,190 15.041,191 15.041,192 15.041,193 15.041,194 15.041,195 13.015,196 13.928,197 8.573,198 15.283,199 12.285,200 12.285,201 12.285,202 12.285,203 12.285,204 9.089,205 13.027,206 3.988,207 12.714,208 3.741,209 1.66,210 0.872,211 0.399,212 0.291,213 0.237,214 3.849,217 1,218 1,219 396,220 2.345,222 132.49,225 163.065,226 1.252,227 23.018,229 1,230 1,231 1,232 1,233 0.6,234 0.5,235 1,236 1,237 0.87,238 47.5,239 179,240 4.706,241 3.466,242 6.95,243 4.294,244 3.312,245 4.618,246 1.151,247 11.785,248 3.251,249 4.319,250 3.069,251 6.449,252 3.895,253 2.917,254 4.013,256 9.985,257 2.851,258 3.877,259 2.687,260 5.829,261 3.455,262 2.479,263 3.409,265 7.912,266 2.416,267 3.572,268 2.452,269 5.372,270 3.175,271 2.211,272 2.959,274 6.673,275 2.124,276 3.474,277 2.322,278 4.957,279 3.024,280 2.077,281 2.85,283 5.804,284 1.958,285 3.213,286 2.172,287 4.884,288 2.793,289 1.857,290 2.47,292 5.406,293 1.732,294 2.902,295 1.908,296 4.529,297 2.534,298 1.579,299 2.037,301 4.382,302 1.497,303 2.49,304 1.212,305 3.881,306 2.072,307 1.075,308 1.485,309 2.7,310 1.071,311 2.182,312 1.1,313 3.662,314 1.919,315 0.958,316 1.14,317 2.323,318 0.914,319 1.708,320 0.664,321 3.084,322 1.397,323 0.452,324 0.545,325 0.906,326 0.424,327 1.273,328 0.282,329 2.835,330 0.939,335 1.12,336 0.038,337 2.563,338 0.72,339 -0.229,340 -0.291,341 -0.58,342 -0.215,343 0.989,344 -0.056,345 2.444,346 0.642,347 -0.302,348 -0.366,349 -0.658,350 -0.284,351 0.667,352 -0.394,353 2.362,354 0.229,355 -0.723,356 -0.925,357 -2.055,358 -0.672,359 0.541,360 -0.609,361 2.325,362 0.121,363 -0.83,364 -1.054,365 -2.273,366 -0.77,367 10.4,368 0.473,369 0.589,370 0.027,371 31.5,372 1.432,373 17.5,374 0.795,375 14,376 0.636,377 15.621,378 0.71,379 22.6,380 0.611,381 21.406,382 0.973,383 6.05,384 0.275,385 4.619,386 0.21,387 0.112,389 0.433,391 0.933,392 0.963,393 0.754,394 0.873,395 0.991,396 0.799,397 0.833,398 1.039,399 0.722,400 0.925,401 0.573,402 0.826,403 1.008,404 1.089,405 0.87,406 0.954,407 0.928,408 0.897,409 0.796,410 1.107,411 1.024,412 1.07,413 0.712,414 1.078,415 0.835,416 1.067,417 1.053,418 1.098,419 0.625,420 1.11,421 1.082,422 0.955,423 1.179,424 1.046,425 1.004,426 1.113,427 0.903,428 0.984,429 1.14,430 1.086,431 1.1,432 1.149,433 0.74,434 0.92,435 0.851,436 0.995,437 0.787,438 0.959,439 4.5,440 0.041,441 2.889,442 1.688,443 2.107,444 0.924,445 0.541,446 0.224,447 0.217,448 0.04,449 4497,450 12485,451 2.148,452 40.5,453 5,454 8,457 2,461 1.651,462 2,463 2.987,464 0.259,466 1,469 54.333,470 1.468,471 3.549,472 4.337,473 4.811,474 4.919,475 4.973,476 2.495,477 4.278,478 4.431,479 3.064,480 707.73,481 7.644,482 7269.74,484 1,485 1,486 1,487 192.75,488 1.437,489 4.388,490 0.18,491 0.021,492 0.078,493 0.041,494 0.057,495 0.029,496 0.023,497 0.014,498 0.022,499 0.007,500 0.471,501 0.67,502 1,503 0.797,504 97.679,505 -0.108,506 0.049,507 0.014,508 0.095,509 -0.169,510 0.08,511 -0.04,512 -0.034,513 0.107,514 0.044,515 0.054,516 0.09,517 -0.097,518 -0.075,519 0.017,520 0.003,521 -0.077,522 0.024,523 0.068,524 -0.069,525 -0.128,526 -0.125,527 0.001,528 -0.154,529 -0.019,530 -0.074,531 -0.112,532 -0.131,533 0.013,534 -0.137,535 -0.089,536 0.01,537 -0.169,538 -0.072,539 -0.068,540 -0.122,541 0.054,542 -0.067,543 -0.098,544 -0.09,545 -0.048,546 -0.117,547 0.08,548 -0.029,549 0.26,550 0.023,551 0.097,552 0.147,553 1.483,554 3.756,555 0.818,556 14.446,557 1.007,558 1.109,559 2.379,560 5.659,561 0.695,562 3.258,563 3.638,564 3.989,565 4.344,566 4.691,567 4.836,568 5.024,569 5.22,570 5.352,571 5.288,572 4.666,573 0.672,574 293.34,575 3.258,576 4.828,577 5.72,578 6.64,579 7.553,580 8.479,581 9.4,582 10.327,583 11.252,584 12.181,585 2.7,591 1,592 2,593 6,594 1,596 7,598 17,602 2,603 1,605 37,606 17,607 2,608 25,610 40,611 18,612 15,613 6,614 6,616 4,617 10,620 1,626 1,628 15,629 3,637 1,639 15,640 4,641 2,642 4,645 1,647 0.25,648 3,650 1,654 4,657 3,667 1,670 1,673 22,674 2,675 2,677 1,688 8.1,690 2,692 1,693 11,694 7.017,695 4.75,696 2.339,697 3.638,698 1.477,699 0.985,700 2.978,701 11.27,702 3.541,703 4.248,704 4.936,705 5.617,706 6.295,707 6.713,708 7.205,709 7.716,710 8.177,711 8.416,712 0.833,713 41,714 8.126,715 3.584,716 7.795,717 15.482,718 13.201,719 2.295,720 50.5,723 153.024,724 95.084,725 16.786,727 96.367,730 95.084,731 249.391,732 16.786,733 8.825,734 7.127,735 56.857,736 102.152,737 33.274,739 153.024,741 153.024,742 111.869,743 96.367,746 153.024,747 96.367,749 20.853,750 74.231,751 16.786,753 153.024,754 113.152,755 95.084,756 153.024,757 29.401,758 65.683,760 113.152,761 153.024,762 113.152,763 95.084,764 0.591,765 0.361,766 0.211,767 0.129,768 21,769 9,770 0.025,771 1,772 3,773 1.333,774 3.306,775 191.835,776 0.333,777 18,778 98.107,780 13.406,781 4.887,782 2.046,783 1.821,784 113.152,785 10.339,786 4.764,788 5.072,790 85.367,791 361.26,792 33.5,797 37.269,798 41.033,799 0.282,800 0.681,801 0.833,802 0.923,803 0.944,804 0.955,805 4.798,806 1.075,807 5.733,808 4.382,809 4.317,810 4.934,811 1.294,812 6.619,813 4.253,814 6.048,815 0.958,816 7.335,817 2.7,818 4.007,819 4.913,821 7.644,822 3.916,823 7.395,824 0.452,825 9.035,826 2.323,827 5.979,828 7.271,829 1.506,830 10.797,831 5.87,832 8.778,834 10.793,835 0.906,836 6.463,837 8.041,839 12.645,840 6.338,841 10.191,842 -0.229,843 12.589,845 7.933,846 9.898,847 1.731,848 15.335,849 7.79,850 11.626,851 -0.302,852 14.41,853 -0.58,854 8.792,855 11.048,857 17.529,858 8.636,859 13.079,860 -0.723,861 16.252,862 -0.658,863 10.069,864 12.702,865 1.968,866 20.062,867 9.897,868 3.312,869 -0.83,870 18.109,871 -2.055,872 11.105,873 14.04,875 22.403,876 10.917,877 2.917,878 11.785,879 19.978,880 -2.273,881 12.312,882 15.609,883 2.214,884 24.881,885 12.108,886 2.479,887 9.985,888 21.857,889 4.618,890 13.428,891 17.04,893 27.286,894 13.207,895 2.211,896 7.912,897 23.744,898 4.013,899 14.613,900 18.574,901 2.468,902 29.747,903 14.375,904 2.077,905 6.673,906 25.637,907 3.409,908 15.765,909 20.05,911 32.179,912 15.51,913 1.857,914 5.804,915 27.536,916 2.959,917 16.946,918 21.573,919 2.727,920 34.636,921 16.673,922 1.579,923 5.406,924 29.44,925 2.85,926 18.116,927 23.072,929 37.083,930 17.825,931 4298,932 7252,933 16.819,934 25.699,935 38.084,936 38.446,937 39.996,938 37.912,939 37.835,940 51.053,941 2.302,942 115.757,943 36.472,944 5.59,945 5.466,946 6.455,947 5.38,948 5.312,949 7.618,950 2.302,951 19.473,952 5.251,953 10.005,954 1.523,955 1.538,956 1.6,957 1.516,958 1.513,959 2.042,960 0.092,961 4.63,962 1.459,963 4.133,964 4.151,965 4.105,966 4.066,967 6.473,968 4.073,969 3.874,970 3.887,971 3.829,972 3.804,973 6.468,974 3.807,975 3.56,976 3.603,977 3.468,978 3.461,979 4.982,980 3.456,981 3.355,982 3.417,983 3.196,984 3.189,985 4.68,986 3.18,987 3.103,988 3.14,989 3.018,990 2.878,991 4.238,992 2.901,993 2.927,994 2.981,995 2.798,996 2.796,997 4.113,998 2.786,999 2.893,1000 2.924,1001 2.773,1002 2.728,1003 4.061,1004 2.735,1005 2.716,1006 2.777,1007 2.57,1008 2.581,1009 3.695,1010 2.57,1011 0.188,1012 0.139,1013 0.278,1014 0.172,1015 0.132,1016 4.706,1017 0.185,1018 3.466,1019 0.046,1020 6.95,1021 0.471,1022 4.294,1023 0.13,1024 3.312,1025 4.618,1026 1.151,1027 11.785,1028 3.251,1029 2.084,1030 2.068,1031 2.145,1032 2.166,1033 1.352,1034 2.16,1035 1.853,1036 1.839,1037 1.942,1038 1.947,1039 1.067,1040 1.944,1041 1.563,1042 1.522,1043 1.802,1044 1.717,1045 0.942,1046 1.747,1047 1.343,1048 1.283,1049 1.575,1050 1.547,1051 0.754,1052 1.558,1053 1.01,1054 0.969,1055 1.219,1056 1.276,1057 0.335,1058 1.25,1059 0.929,1060 0.877,1061 1.176,1062 1.106,1063 0.229,1064 1.135,1065 0.841,1066 0.806,1067 1.088,1068 1.08,1069 0.149,1070 1.069,1071 0.715,1072 0.663,1073 0.975,1074 0.924,1075 0.095,1076 0.946,1077 3.932,1078 5.293,1080 6.876,1082 8.567,1084 10.315,1086 2.089,1089 19.367,1090 1.259,1092 5.79,1100 24.853,1101 54.333,1102 131.324,1103 160.485,1104 177.995,1105 181.995,1106 183.995,1107 31.222,1108 7.632,1109 62.58,1110 62.58,1111 24,1112 12.684,1113 4.17,1114 3.248,1115 29.688,1116 63,1117 64,1118 0.249,1119 149.223,1120 254.07,1121 355.864,1122 19794,1124 15.267,1125 0.694,1126 0.551,1127 15.267,1128 12.128,1129 10.669,1130 0.427,1131 0.291,1132 7.199,1133 10.341,1134 7.022,1135 5.79,1136 10.669,1137 7.278,1138 9.897,1139 0.267,1140 0.147,1141 9.897,1142 5.442,1143 8.731,1144 0.165,1145 0.078,1146 8.731,1147 4.134,1148 7.814,1149 0.103,1150 0.041,1151 7.814,1152 3.115,1153 7.064,1154 0.065,1155 0.021,1156 7.064,1157 2.269,1158 0.369,1159 66.485,1160 0.244,1161 20.89,1162 0.753,1163 124,1164 349.68,1165 133.804,1166 339.162,1167 473.11,1168 318,1169 152,1170 358.332,1171 161.807,1172 363.464,1173 540.35,1174 344,1175 6.193}
{0 CHEMBL437390,1 1.485,2 9.679,3 4.563,4 20.819,5 104.023,6 8.724,7 0.719,8 3.883,9 3.954,10 3.585,11 3.544,12 5.16,13 3.546,14 4.345,15 4.434,16 3.978,17 3.95,18 5.576,19 3.943,20 4.622,21 4.746,22 4.106,23 4.111,24 5.838,25 4.089,26 4.687,27 4.843,28 4.071,29 4.107,30 5.88,31 4.068,32 4.667,33 4.818,34 4.06,35 4.119,36 5.815,37 4.075,38 4.724,39 4.888,40 4.006,41 4.097,42 5.877,43 4.041,44 4.676,45 4.864,46 3.837,47 3.965,48 5.85,49 3.893,50 4.456,51 4.661,52 3.579,53 3.699,54 5.666,55 3.622,56 0.077,57 0.494,58 5.784,59 3.444,60 16.075,61 3.498,62 0.107,63 0.801,64 9.792,65 5.67,66 13.68,67 6.033,68 0.217,69 1.101,70 15.191,71 7.748,72 35.507,73 8.33,74 0.392,75 1.238,76 18.096,77 8.315,78 51.037,79 9.418,80 0.246,81 1.175,82 17.185,83 8.456,84 40.348,85 9.809,86 0.317,87 1.233,88 19.695,89 9.301,90 44.265,91 10.674,92 0.427,93 1.186,94 21.152,95 9.245,96 55.936,97 10.76,98 0.232,99 0.963,100 17.62,101 7.674,102 40.513,103 9.397,104 11,105 47,106 0.252,107 0.584,108 0.713,109 0.839,110 0.866,111 0.874,112 3.376,113 0.821,114 -3.64,115 -3.61,116 -3.44,118 54.8,124 1,135 10,136 6,137 3,139 2,143 1,146 13,148 8,150 4,151 18,153 8,155 3,156 17,157 1,158 8,159 1,161 2,162 16,164 6,165 1,166 2,167 17,169 6,170 1,171 3,172 17,174 5,175 1,176 4,177 14,179 1,181 5,182 6,183 2,184 2,187 6,188 2,189 1196,190 19.265,191 19.265,192 19.265,193 19.265,194 19.265,195 16.486,196 15.182,197 11.057,198 19.516,199 15.751,200 15.751,201 15.751,202 15.751,203 15.751,204 11.388,205 15.145,206 5.201,207 16.201,208 3.907,209 1.951,210 1.19,211 0.447,212 0.286,213 0.238,214 4.09,217 1,218 1,219 603,220 2.55,222 242.036,225 225.62,226 1.321,227 30.269,229 1,230 1,231 1,232 1,233 0.4,235 1,236 1,237 0.77,238 60,239 271,240 4.75,241 4.057,242 7.065,243 4.344,244 3.359,245 4.665,246 2.035,247 12.224,248 3.31,249 4.337,250 3.464,251 6.525,252 3.934,253 2.956,254 4.019,255 1.151,256 10.246,257 2.89,258 4.103,259 3.081,260 5.917,261 3.628,262 2.64,263 3.73,265 8.25,266 2.608,267 3.896,268 2.711,269 5.636,270 3.434,271 2.455,272 3.395,274 7.431,275 2.404,276 3.717,277 2.584,278 5.311,279 3.258,280 2.286,281 3.098,283 6.752,284 2.216,285 3.48,286 2.408,287 4.989,288 3.032,289 2.086,290 2.85,292 5.808,293 1.966,294 3.326,295 2.316,296 4.956,297 2.862,298 1.898,299 2.556,301 5.65,302 1.829,303 3.185,304 2.177,305 4.785,306 2.711,307 1.77,308 2.383,309 5.086,310 1.653,311 2.92,312 2.049,313 4.477,314 2.464,315 1.489,316 2.034,317 4.216,318 1.445,319 2.863,320 1.548,321 3.809,322 2,323 1,324 1.5,325 2.572,326 1,327 2.5,328 1.107,329 3.549,330 1.968,331 0.995,332 1.417,333 2.275,334 0.965,335 2.427,336 1,337 3.414,338 1.712,339 0.758,340 1.102,341 1.87,342 0.718,343 2.004,344 0.884,345 3.056,346 1.427,347 0.486,348 0.805,349 0.822,350 0.455,351 1.467,352 0.363,353 2.835,354 1.021,355 0.077,356 0.102,357 0.184,358 0.072,359 1.185,360 0.252,361 2.726,362 0.787,363 -0.15,364 -0.19,365 -0.385,366 -0.14,367 13.3,368 0.475,369 0.709,370 0.025,371 44.25,372 1.58,373 26.5,374 0.946,375 17.75,376 0.634,377 18.4,378 0.657,379 26.9,380 0.64,381 33.363,382 1.192,383 8.656,384 0.309,385 4.98,386 0.178,387 0.08,389 0.414,391 0.907,392 0.842,393 0.68,394 0.764,395 0.823,396 0.7,397 0.84,398 0.976,399 0.745,400 0.915,401 0.532,402 0.838,403 0.997,404 1.08,405 0.937,406 1.002,407 0.82,408 0.97,409 0.816,410 0.961,411 0.991,412 0.949,413 0.779,414 0.983,415 0.768,416 0.981,417 0.948,418 1.028,419 0.64,420 1.023,421 0.951,422 1.006,423 1.075,424 1.096,425 0.68,426 1.111,427 1.016,428 0.95,429 1.116,430 1.033,431 0.894,432 1.084,433 0.93,434 1.12,435 1.025,436 1.129,437 1.025,438 1.11,439 5.5,440 0.099,441 3.333,442 1.938,443 2.409,444 1.174,445 0.943,446 0.477,447 0.41,448 0.229,449 8918,450 27219,451 2.177,452 33.3,454 12,457 2,461 1.719,462 2.049,463 3.198,464 0.176,469 62.378,470 1.485,471 3.441,472 4.202,473 4.946,474 5.107,475 5.154,476 2.637,477 4.209,478 4.773,479 3.323,480 1256.21,481 8.352,482 15517.4,484 1,487 226.477,488 1.375,489 4.745,490 0.172,491 0.009,492 0.071,493 0.037,494 0.049,495 0.024,496 0.021,497 0.013,498 0.015,499 0.011,500 0.422,501 0.5,502 0.88,503 0.689,504 136.218,505 -0.112,506 0.064,507 0.001,508 0.106,509 -0.118,510 0.082,511 -0.068,512 -0.064,513 -0.013,514 -0.026,515 0.006,516 -0.013,517 -0.114,518 -0.128,519 -0.092,520 -0.078,521 -0.081,522 -0.082,523 0.048,524 0.051,525 -0.069,526 -0.006,527 -0.036,528 -0.044,529 0.002,530 -0.025,531 -0.047,532 -0.073,533 -0.004,534 -0.069,535 -0.038,536 -0.066,537 -0.103,538 -0.108,539 0.001,540 -0.116,541 -0.005,542 -0.003,543 -0.049,544 -0.004,545 -0.032,546 -0.027,547 -0.015,548 -0.171,549 0.083,550 -0.081,551 -0.031,552 -0.006,553 1.528,554 4.046,555 0.857,556 23.959,557 1.012,558 1.098,559 2.415,560 5.83,561 0.737,562 3.497,563 3.871,564 4.22,565 4.575,566 4.949,567 5.136,568 5.38,569 5.624,570 5.805,571 5.846,572 5.564,573 0.723,574 366.39,575 3.497,576 5.069,577 5.958,578 6.874,579 7.787,580 8.712,581 9.636,582 10.566,583 11.496,584 12.429,585 4.8,590 1,591 1,592 2,593 10,594 1,596 9,598 23,599 1,602 2,603 1,605 42,606 24,607 3,608 32,610 46,611 23,612 21,613 8,614 10,616 5,617 11,627 1,628 21,629 1,637 1,639 14,640 5,641 2,642 5,645 2,647 0.4,648 3,650 1,654 5,657 3,667 2,673 28,674 2,675 1,677 1,682 1,684 1,686 1,688 7.1,690 2,692 1,693 13.667,694 7.8,695 6.028,696 2.444,697 4.797,698 1.574,699 1.013,700 3.716,701 13.159,702 3.839,703 4.516,704 5.212,705 5.893,706 6.588,707 7.049,708 7.611,709 8.168,710 8.678,711 9.043,712 0.857,713 52,714 10.305,715 4.586,716 7.887,717 19.377,718 16.531,719 2.387,720 66.833,722 1,723 141.253,724 144.602,725 47.845,727 96.367,730 144.602,731 237.62,732 47.845,734 4.592,735 94.762,736 118.754,737 70.704,739 141.253,741 141.253,742 192.447,743 96.367,746 141.253,747 96.367,749 40.553,750 135.108,751 16.786,753 141.253,754 144.211,755 144.602,756 141.253,757 33.238,758 94.762,759 16.602,760 144.211,761 141.253,762 144.211,763 144.602,764 0.59,765 0.354,766 0.2,767 0.124,768 26,769 11,770 0.022,771 1,772 3,773 1.25,774 3.83,775 272.665,776 0.25,777 24,778 126.606,780 16.615,781 6.263,782 2.687,783 1.561,784 144.211,785 17.415,786 4.823,788 5.799,790 85.367,791 430.066,792 45.5,797 42.487,798 46.116,799 0.275,800 0.638,801 0.779,802 0.917,803 0.947,804 0.956,805 5.098,806 1.77,807 5.964,808 5.65,809 4.554,810 5.204,811 2.479,812 6.838,813 4.501,814 6.35,815 1.489,816 7.556,817 5.086,818 4.205,819 5.094,821 7.849,822 4.13,823 7.687,824 1,825 9.248,826 4.216,827 6.205,828 7.517,829 3.658,830 11.007,831 6.116,832 9.059,833 0.995,834 10.999,835 2.572,836 6.661,837 8.223,839 12.867,840 6.557,841 10.461,842 0.758,843 12.79,844 2.275,845 8.144,846 10.114,847 4.994,848 15.569,849 8.028,850 11.885,851 0.486,852 14.609,853 1.87,854 8.985,855 11.219,857 17.795,858 8.856,859 13.328,860 0.077,861 16.45,862 0.822,863 10.27,864 12.888,865 6.388,866 20.348,867 10.128,868 3.359,869 -0.15,870 18.309,871 0.184,872 11.297,873 14.202,875 22.728,876 11.143,877 2.956,878 12.224,879 20.182,880 -0.385,881 12.51,882 15.777,883 7.8,884 25.234,885 12.343,886 2.64,887 10.246,888 22.066,889 4.665,890 13.626,891 17.197,893 27.679,894 13.445,895 2.455,896 8.25,897 23.961,898 4.019,899 14.818,900 18.736,901 9.218,902 30.172,903 14.624,904 2.286,905 7.431,906 25.864,907 3.73,908 15.975,909 20.209,911 32.644,912 15.767,913 2.086,914 6.752,915 27.773,916 3.395,917 17.164,918 21.737,919 10.638,920 35.136,921 16.943,922 1.898,923 5.808,924 29.689,925 3.098,926 18.342,927 23.238,929 37.622,930 18.107,931 8351,932 14680,933 21.789,934 30.943,935 50.137,936 51.733,937 50.602,938 48.555,939 48.507,940 67.313,941 6.371,942 146.77,943 47.058,944 5.636,945 6.057,946 6.616,947 5.43,948 5.359,949 7.665,950 4.069,951 19.924,952 5.31,953 12.088,954 1.567,955 1.617,956 1.581,957 1.517,958 1.516,959 2.104,960 0.199,961 4.587,962 1.471,963 4.151,964 4.167,965 4.125,966 4.092,967 6.82,968 4.098,969 3.894,970 3.911,971 3.849,972 3.831,973 6.473,974 3.832,975 3.844,976 3.866,977 3.795,978 3.78,979 6.468,980 3.78,981 3.492,982 3.516,983 3.431,984 3.394,985 4.995,986 3.398,987 3.189,988 3.23,989 3.162,990 3.051,991 4.702,992 3.072,993 3.103,994 3.14,995 3.018,996 2.877,997 4.635,998 2.901,999 2.926,1000 2.973,1001 2.857,1002 2.792,1003 4.223,1004 2.8,1005 2.893,1006 2.925,1007 2.783,1008 2.735,1009 4.096,1010 2.735,1011 0.148,1012 0.127,1013 0.221,1014 0.136,1015 0.105,1016 4.75,1017 0.146,1018 4.057,1019 0.064,1020 7.065,1021 0.382,1022 4.344,1023 0.103,1024 3.359,1025 4.665,1026 2.035,1027 12.224,1028 3.31,1029 2.101,1030 2.087,1031 2.151,1032 2.173,1033 1.337,1034 2.167,1035 1.882,1036 1.865,1037 1.972,1038 1.965,1039 1.076,1040 1.967,1041 1.831,1042 1.812,1043 1.925,1044 1.918,1045 1.014,1046 1.922,1047 1.462,1048 1.438,1049 1.605,1050 1.603,1051 0.782,1052 1.601,1053 1.124,1054 1.09,1055 1.253,1056 1.298,1057 0.366,1058 1.277,1059 1.01,1060 0.969,1061 1.189,1062 1.266,1063 0.231,1064 1.237,1065 0.902,1066 0.853,1067 1.181,1068 1.085,1069 0.218,1070 1.107,1071 0.886,1072 0.821,1073 1.109,1074 1.069,1075 0.149,1076 1.096,1077 4.174,1078 5.533,1080 7.109,1082 8.788,1084 10.525,1089 19.812,1090 0.291,1092 5.902,1098 9.097,1099 2.132,1100 30.348,1101 62.378,1102 144.529,1103 176.503,1104 207.722,1105 214.477,1106 216.477,1107 43.441,1108 8.361,1109 86.37,1110 86.37,1111 30,1112 12.93,1113 4.644,1114 3.858,1115 37.302,1116 90,1117 116,1118 0.203,1119 181.948,1120 315.11,1121 435.714,1122 49788,1124 19.25,1125 0.688,1126 0.524,1127 19.25,1128 14.678,1129 13.635,1130 0.426,1131 0.274,1132 8.675,1133 13.264,1134 8.5,1135 6.986,1136 13.635,1137 8.762,1138 12.591,1139 0.268,1140 0.142,1141 12.591,1142 6.674,1143 11.161,1144 0.167,1145 0.074,1146 11.161,1147 4.964,1148 9.783,1149 0.102,1150 0.038,1151 9.783,1152 3.671,1153 8.951,1154 0.064,1155 0.02,1156 8.951,1157 2.777,1158 0.304,1159 84.637,1160 0.214,1161 25.881,1162 0.604,1163 158,1164 457.325,1165 168.498,1166 452.136,1167 625.39,1168 422,1169 193,1170 467.741,1171 203.473,1172 478.921,1173 705.21,1174 452,1175 5.993}
{0 CHEMBL44,1 1.459,2 8.25,3 2.065,4 4.262,5 70.823,6 9.008,7 0.545,8 3.564,9 3.613,10 3.255,11 3.132,12 4.937,13 3.165,14 3.969,15 4.027,16 3.641,17 3.504,18 5.359,19 3.534,20 4.26,21 4.352,22 3.752,23 3.608,24 5.665,25 3.639,26 4.301,27 4.42,28 3.716,29 3.485,30 5.952,31 3.508,32 4.156,33 4.299,34 3.373,35 3.292,36 5.538,37 3.307,38 3.875,39 4.005,40 3.184,41 3.095,42 5.377,43 3.097,44 3.726,45 3.861,46 2.985,47 2.935,48 5.279,49 2.908,50 3.584,51 3.784,52 2.59,53 2.661,54 4.824,55 2.603,56 0.186,57 0.347,58 4.201,59 2.767,60 27.159,61 2.308,62 0.219,63 0.531,64 5.963,65 4.28,66 25.658,67 3.912,68 0.434,69 0.705,70 10.411,71 5.675,72 62.586,73 5.07,74 0.794,75 0.726,76 13.208,77 5.915,78 100.113,79 6.192,80 0.586,81 0.629,82 13.012,83 5.095,84 82.153,85 4.556,86 0.421,87 0.477,88 8.745,89 3.888,90 66.759,91 3.763,92 0.413,93 0.412,94 7.47,95 3.384,96 59.66,97 3.51,98 0.272,99 0.368,100 7.963,101 3.108,102 39.137,103 3.566,104 17,105 32,106 0.274,107 0.58,108 0.715,109 0.817,110 0.859,111 0.872,112 3.059,113 0.795,114 -2.99,115 -3,116 -2.89,118 50,130 1,131 1,135 6,136 2,137 4,142 1,146 5,148 5,150 6,151 10,153 2,155 2,156 5,157 1,158 7,159 3,160 1,161 4,162 4,164 4,166 2,167 4,170 1,171 3,172 4,175 2,176 4,177 4,181 2,186 1,187 4,189 422,190 13.223,191 13.223,192 13.223,193 13.223,194 13.223,195 11.368,196 13.153,197 7.568,198 13.425,199 10.822,200 10.822,201 10.822,202 10.822,203 10.822,204 8.005,205 15.296,206 3.578,207 11.171,208 3.448,209 1.822,210 1.101,211 0.558,212 0.333,213 0.267,214 3.734,216 1,217 1,218 1,219 354,220 2,222 147.133,225 78.376,226 1.275,227 35.153,230 1,231 1,232 1,233 0.4,235 1,236 1,237 0.77,238 45,239 165,240 4.597,241 3.699,242 6.89,243 4.24,244 3.248,245 4.252,246 0.86,247 11.436,248 3.225,249 4.183,250 2.998,251 6.226,252 3.772,253 2.787,254 3.79,256 9.2,257 2.738,258 3.782,259 2.742,260 5.256,261 3.342,262 2.37,263 3.236,265 6.469,266 2.297,267 3.484,268 2.53,269 5.076,270 3.075,271 2.114,272 2.807,274 5.967,275 2.022,276 3.312,277 2.361,278 5.015,279 2.919,280 2,281 2.559,283 5.818,284 1.827,285 3.053,286 2.254,287 4.708,288 2.61,289 1.621,290 2.209,292 4.666,293 1.585,294 2.72,295 1.569,296 4.047,297 2.173,298 1.232,299 1.651,301 3.189,302 1.144,303 2.5,304 1,305 3.414,306 2,307 1,308 1.5,309 2.275,310 1,311 1.516,312 0.94,313 2.978,314 1.126,315 0.175,316 0.212,317 0.421,318 0.163,319 1.276,320 0.394,321 2.821,322 0.873,323 -0.111,324 -0.147,325 -0.288,326 -0.107,327 1.07,328 0.031,329 2.623,330 0.636,331 -0.31,332 -0.414,333 -0.746,334 -0.29,335 0.798,336 -0.07,337 2.212,338 0.419,339 -0.507,340 -0.623,341 -1.225,342 -0.459,343 0.5,344 -0.336,345 2,346 0.038,347 -0.838,348 -0.933,349 -2.16,350 -0.729,351 0.3,352 -0.881,353 2,355 -1,356 -1.5,357 -3,358 -1,359 0.114,360 -1,361 1.601,362 -0.343,363 -1.295,364 -1.608,365 -3.122,366 -1.2,367 9.167,368 0.458,369 0.613,370 0.031,371 29.5,372 1.475,373 17,374 0.85,375 12.5,376 0.625,377 11.273,378 0.564,379 20.833,380 0.694,381 21.431,382 1.072,383 6.07,384 0.303,385 3.489,386 0.174,387 0.145,389 0.436,391 0.947,392 0.787,393 0.719,394 0.761,395 0.924,396 0.682,397 0.768,398 1.067,399 0.678,400 1.043,401 0.632,402 0.889,403 1.079,404 1.131,405 0.956,406 1.112,407 1.045,408 1.022,409 0.696,410 1.067,411 0.848,412 1.075,413 0.789,414 1.038,415 1.436,416 0.867,417 1.23,418 0.86,419 1.378,420 0.932,421 1.05,422 1.01,423 1.098,424 1.018,425 1.018,426 1.06,427 0.774,428 1.066,429 1.13,430 1.105,431 0.905,432 1.215,433 0.943,434 1.079,435 1.118,436 1.099,437 0.967,438 1.155,439 4.5,440 0.041,441 2.667,442 2,443 1.511,444 0.792,445 0.423,446 0.177,447 0.197,448 0.04,449 3466,450 12650,451 2.048,452 33.3,454 6,455 1,457 3,461 1.62,462 1.875,463 3.003,464 1.103,466 1,467 1,468 1,469 43.774,470 1.459,471 3.085,472 3.806,473 4.348,474 4.574,475 4.64,476 2.504,477 3.646,478 4.292,479 3.092,480 587.476,481 7.347,482 5737.73,483 1,484 1,486 1,487 147.207,488 1.522,489 4.231,490 0.205,491 0.021,492 0.083,493 0.059,494 0.05,495 0.036,496 0.023,497 0.013,498 0.022,499 0.007,500 0.518,501 0.67,502 1,503 0.68,504 86.757,505 -0.177,506 0.187,507 -0.06,508 0.19,509 -0.211,510 0.135,511 -0.071,512 -0.103,513 -0.012,514 -0.093,515 -0.016,516 -0.048,517 -0.174,518 -0.17,519 -0.124,520 -0.163,521 -0.172,522 -0.135,523 0.34,524 -0.104,525 0.141,526 -0.115,527 0.252,528 -0.081,529 -0.32,530 0.103,531 -0.175,532 0.108,533 -0.261,534 0.049,535 -0.065,536 -0.045,537 -0.119,538 -0.053,539 0.004,540 -0.092,541 0.167,542 -0.103,543 -0.144,544 -0.136,545 0.092,546 -0.227,547 -0.08,548 -0.119,549 0.025,550 -0.103,551 -0.09,552 -0.028,553 2.075,554 5.382,555 0.8,556 13.01,557 1.035,558 1.104,559 1.764,560 3.112,561 0.703,562 3.135,563 3.497,564 3.784,565 4.078,566 4.304,567 4.382,568 4.431,569 4.522,570 4.564,571 4.477,572 4.703,573 0.707,574 270.25,575 3.135,576 4.691,577 5.557,578 6.457,579 7.339,580 8.244,581 9.133,582 10.041,583 10.934,584 11.843,593 6,596 6,598 12,600 1,602 3,603 1,605 30,606 14,607 2,608 22,610 32,611 15,612 12,613 6,614 6,615 3,616 3,617 4,628 15,631 2,633 1,634 1,635 2,636 1,637 1,639 10,640 5,641 3,642 5,647 0.667,648 5,654 3,657 1,663 1,667 2,673 20,674 3,677 1,688 16.7,690 3,691 1,692 1,693 10.667,694 5.267,695 4.306,696 1.574,697 2.728,698 1.402,699 0.915,700 2.969,701 9.507,702 3.434,703 4.078,704 4.677,705 5.252,706 5.764,707 6.032,708 6.295,709 6.665,710 6.983,711 7.264,712 0.833,713 34,714 7.397,715 3.337,716 8.292,717 13.284,718 10.963,719 2.792,720 55.833,723 82.398,724 88.325,727 164.195,730 88.325,731 246.593,734 11.534,735 56.857,736 158.328,737 25.8,738 11.771,739 70.627,741 82.398,742 88.325,743 164.195,746 82.398,747 164.195,750 88.325,753 82.398,754 164.195,755 88.325,756 82.398,757 19.934,758 68.392,760 164.195,761 82.398,762 164.195,763 88.325,764 0.595,765 0.352,766 0.194,767 0.105,768 17,769 8,770 0.031,771 1,772 1,773 1.125,774 3.132,775 156.593,776 0.125,777 16,778 82.439,780 12.721,781 4.667,782 2.188,784 164.195,785 8.401,788 0.242,790 128.05,791 334.918,792 30,794 12.382,795 1.26,796 -0.145,797 31.055,798 33.123,799 0.297,800 0.629,801 0.776,802 0.886,803 0.932,804 0.946,805 4.682,806 1,807 5.572,808 3.189,809 4.174,810 4.762,811 0.908,812 6.425,813 4.119,814 5.926,815 0.175,816 7.162,817 2.275,818 3.892,819 4.663,821 7.413,822 3.816,823 7.257,824 -0.111,825 8.85,826 0.421,827 5.808,828 6.99,829 0.739,830 10.542,831 5.724,832 8.621,833 -0.31,834 10.596,835 -0.288,836 6.293,837 7.645,839 12.358,840 6.207,841 10.013,842 -0.507,843 12.38,844 -0.746,845 7.734,846 9.481,847 0.593,848 15.035,849 7.639,850 11.427,851 -0.838,852 14.191,853 -1.225,854 8.582,855 10.504,857 17.204,858 8.49,859 12.857,860 -1,861 16.024,862 -2.16,863 9.841,864 12.127,865 0.469,866 19.722,867 9.742,868 3.248,869 -1.295,870 17.874,871 -3,872 10.86,873 13.342,875 22.04,876 10.763,877 2.787,878 11.436,879 19.737,880 -3.122,881 12.051,882 14.864,883 0.366,884 24.5,885 11.948,886 2.37,887 9.2,888 21.611,889 4.252,890 13.15,891 16.181,893 26.882,894 13.046,895 2.114,896 6.469,897 23.494,898 3.79,899 14.319,900 17.656,901 0.283,902 29.322,903 14.21,904 2,905 5.967,906 25.384,907 3.236,908 15.455,909 19.027,911 31.731,912 15.342,913 1.621,914 5.818,915 27.28,916 2.807,917 16.619,918 20.48,919 0.217,920 34.165,921 16.502,922 1.232,923 4.666,924 29.181,925 2.559,926 17.772,927 21.881,929 36.587,930 17.65,931 3427,932 6626,933 14.334,934 21.08,935 33.753,936 34.884,937 34.856,938 33.168,939 33.092,940 44.434,941 1.72,942 98.882,943 32.003,944 5.455,945 5.699,946 6.304,947 5.326,948 5.248,949 7.252,950 1.72,951 18.896,952 5.225,953 10.594,954 1.534,955 1.586,956 1.584,957 1.508,958 1.504,959 2.02,960 0.078,961 4.495,962 1.455,963 4.028,964 4.032,965 4,966 3.947,967 7.427,968 3.957,969 3.854,970 3.869,971 3.804,972 3.783,973 6.493,974 3.786,975 3.453,976 3.458,977 3.405,978 3.321,979 6.47,980 3.337,981 3.041,982 3.04,983 2.978,984 2.813,985 6.445,986 2.846,987 2.902,988 2.925,989 2.829,990 2.735,991 4.816,992 2.739,993 2.854,994 2.914,995 2.687,996 2.72,997 4.567,998 2.715,999 2.694,1000 2.696,1001 2.63,1002 2.455,1003 4.113,1004 2.461,1005 2.643,1006 2.658,1007 2.514,1008 2.251,1009 3.674,1010 2.346,1011 0.209,1012 0.168,1013 0.313,1014 0.193,1015 0.148,1016 4.597,1017 0.193,1018 3.699,1019 0.039,1020 6.89,1021 0.52,1022 4.24,1023 0.147,1024 3.248,1025 4.252,1026 0.86,1027 11.436,1028 3.225,1029 1.968,1030 1.961,1031 2.037,1032 2.065,1033 1.148,1034 2.052,1035 1.835,1036 1.821,1037 1.918,1038 1.932,1039 1.019,1040 1.929,1041 1.388,1042 1.378,1043 1.495,1044 1.555,1045 0.553,1046 1.531,1047 0.913,1048 0.903,1049 1.181,1050 1.207,1051 0.218,1052 1.156,1053 0.886,1054 0.821,1055 1.092,1056 1.075,1057 0.097,1058 1.107,1059 0.815,1060 0.796,1061 0.987,1062 1.062,1063 0.023,1064 1.039,1065 0.597,1066 0.551,1067 0.875,1068 0.902,1070 0.869,1071 0.403,1072 0.42,1073 0.65,1074 0.866,1076 0.802,1077 3.807,1078 5.153,1080 6.708,1082 8.363,1084 10.07,1089 28.407,1092 5.287,1100 21.208,1101 43.774,1102 92.536,1103 114.187,1104 130.452,1105 137.207,1106 139.207,1107 44.256,1108 6.779,1109 90.9,1110 90.9,1111 18,1112 12.362,1113 3.907,1114 3.17,1115 29.879,1116 57,1117 60,1118 0.274,1119 129.037,1120 232.01,1121 306.611,1122 6701,1124 14.276,1125 0.714,1126 0.51,1127 14.276,1128 10.2,1129 9.559,1130 0.434,1131 0.265,1132 5.74,1133 9.159,1134 5.653,1135 4.65,1136 9.559,1137 5.83,1138 9.012,1139 0.282,1140 0.136,1141 9.012,1142 4.363,1143 7.5,1144 0.174,1145 0.07,1146 7.5,1147 3.02,1148 6.618,1149 0.114,1150 0.035,1151 6.618,1152 2.059,1153 5.056,1154 0.069,1155 0.019,1156 5.056,1157 1.363,1158 0.412,1159 60.569,1160 0.264,1161 19.478,1162 0.806,1163 108,1164 385.92,1165 119.958,1166 367.059,1167 487.33,1168 338,1169 129,1170 351.091,1171 140.628,1172 353.458,1173 516.93,1174 332,1175 6.403}
{0 CHEMBL440757,1 1.421,2 8.3,3 4.556,4 20.753,5 76.236,6 8.429,7 0.773,8 3.554,9 3.632,10 3.218,11 3.216,12 4.874,13 3.207,14 3.948,15 4.042,16 3.572,17 3.571,18 5.235,19 3.552,20 4.227,21 4.367,22 3.636,23 3.69,24 5.495,25 3.653,26 4.226,27 4.407,28 3.485,29 3.618,30 5.423,31 3.552,32 4.104,33 4.294,34 3.404,35 3.514,36 5.366,37 3.445,38 3.971,39 4.14,40 3.218,41 3.381,42 5.318,43 3.301,44 3.862,45 4.053,46 2.915,47 3.186,48 5.062,49 3.075,50 3.672,51 3.909,52 2.657,53 2.817,54 4.875,55 2.713,56 0.05,57 0.349,58 4.69,59 2.533,60 14.53,61 2.681,62 0.018,63 0.537,64 6.851,65 3.84,66 6.894,67 4.411,68 0.135,69 0.75,70 11.371,71 5.274,72 28.588,73 5.849,74 0.148,75 0.783,76 12.673,77 5.525,78 33.301,79 6.562,80 0.126,81 0.682,82 11.45,83 5.146,84 29.284,85 6.627,86 0.121,87 0.577,88 9.374,89 4.416,90 31.656,91 5.402,92 0.086,93 0.512,94 9.121,95 4.214,96 27.4,97 5.171,98 0.06,99 0.43,100 8.897,101 3.787,102 20.448,103 4.959,104 11,105 31,106 0.261,107 0.59,108 0.692,109 0.823,110 0.851,111 0.863,112 3.059,113 0.828,114 -4.23,115 -4.17,116 -3.94,118 54.8,133 1,134 1,135 8,136 3,137 2,139 2,146 10,148 4,150 4,151 12,153 5,155 4,156 12,158 3,161 2,162 11,164 1,165 1,166 2,167 14,170 1,171 2,172 13,176 2,177 6,181 5,187 5,189 432,190 13.541,191 13.541,192 13.541,193 13.541,194 13.541,195 11.452,196 7.111,197 7.869,198 13.674,199 10.797,200 10.797,201 10.797,202 10.797,203 10.797,204 7.582,205 3.195,206 3.679,207 11.052,208 3.534,209 1.742,210 1.186,211 0.476,212 0.323,213 0.258,214 3.738,217 1,218 1,219 356,220 2.121,222 147.985,225 78.937,226 1.23,227 20.123,230 1,231 1,232 1,233 0.4,235 1,236 1,237 0.77,238 42.5,239 166,240 4.593,241 3.259,242 6.577,243 4.116,244 3.132,245 4.533,247 10.5,248 3.083,249 4.14,250 2.813,251 6.084,252 3.733,253 2.745,254 3.768,256 8.841,257 2.712,258 3.768,259 2.591,260 5.228,261 3.281,262 2.319,263 3.203,265 6.336,266 2.227,267 3.663,268 2.474,269 5.054,270 3.162,271 2.194,272 3.011,274 6.111,275 2.115,276 3.449,277 2.193,278 4.949,279 2.95,280 1.99,281 2.794,283 5.756,284 1.902,285 3.068,286 1.476,287 4.391,288 2.39,289 1.416,290 2.066,292 4.111,293 1.375,294 2.878,295 1.224,296 3.812,297 2.07,298 1.076,299 1.666,301 2.686,302 1.068,303 2.5,304 1,305 3.414,306 2,307 1,308 1.5,309 2.275,310 1,311 2.342,312 0.559,313 2.951,314 1.416,315 0.437,316 0.795,317 0.768,318 0.427,319 1.432,320 0.219,321 2.689,322 0.951,327 1.077,328 0.001,329 2.49,330 0.641,331 -0.296,332 -0.389,333 -0.636,334 -0.273,335 0.937,336 -0.498,337 2.329,338 0.407,339 -0.57,340 -0.881,341 -1.562,342 -0.556,343 0.598,344 -0.646,345 2,346 0.123,347 -0.83,348 -1.096,349 -2.298,350 -0.778,351 0.5,352 -0.877,353 2,355 -1,356 -1.5,357 -2.92,358 -1,359 0.257,360 -1,361 1.681,362 -0.144,363 -1.1,364 -1.548,365 -3,366 -1.059,367 9.567,368 0.478,369 0.503,370 0.025,371 31,372 1.55,373 19,374 0.95,375 12,376 0.6,377 10.716,378 0.536,379 19.233,380 0.62,381 21.051,382 1.053,383 6.278,384 0.314,385 3.391,386 0.17,387 0.122,389 0.366,391 0.976,392 0.82,393 0.74,394 0.719,395 1.042,396 0.698,397 0.647,398 1.119,399 0.736,400 0.988,401 0.558,402 0.899,403 1.095,404 1.074,405 1.019,406 0.963,407 0.979,408 0.971,409 0.931,410 1.014,411 1.053,412 0.953,413 0.914,414 0.999,415 0.519,416 0.918,417 0.82,418 0.924,419 0.552,420 0.919,421 0.708,422 0.993,423 1.083,424 1.118,425 0.736,426 1.154,427 0.868,428 1.086,429 1.215,430 1.227,431 1.156,432 1.273,433 0.831,434 1.071,435 0.896,436 1.176,437 0.909,438 1.079,439 4.5,440 0.041,441 2.444,442 1.063,443 1.48,444 0.792,445 0.321,446 0.236,447 0.197,448 0.04,449 3538,450 11044,451 2.077,452 35.5,454 8,455 1,457 2,461 1.621,462 1.935,463 3.026,464 0.262,469 44.039,470 1.421,471 3.212,472 3.769,473 4.478,474 4.632,475 4.696,476 2.485,477 3.622,478 4.292,479 3.114,480 591.636,481 7.348,482 5849.37,484 1,487 153.58,488 1.441,489 4.248,490 0.205,491 0.021,492 0.079,493 0.033,494 0.055,495 0.032,496 0.016,497 0.017,498 0.02,499 0.007,500 0.483,501 1,502 1,503 0.843,504 87.128,505 -0.145,506 0.098,507 -0.026,508 0.146,509 -0.226,510 0.091,511 -0.007,512 -0.187,513 -0.014,514 -0.127,515 0.027,516 -0.085,517 -0.156,518 -0.08,519 -0.147,520 -0.053,521 -0.123,522 -0.09,523 -0.12,524 0.013,525 -0.106,526 -0.007,527 -0.139,528 -0.041,529 0.135,530 0.07,531 0.141,532 0.049,533 0.15,534 0.086,535 0.064,536 -0.041,537 -0.156,538 -0.159,539 0.107,540 -0.187,541 -0.064,542 -0.166,543 -0.218,544 -0.225,545 -0.22,546 -0.242,547 0.122,548 -0.145,549 0.268,550 -0.1,551 0.132,552 0.068,553 1.506,554 3.543,555 0.8,556 13.72,557 1.006,558 1.097,559 2.998,560 8.986,561 0.733,562 3.135,563 3.466,564 3.738,565 4.007,566 4.317,567 4.357,568 4.443,569 4.533,570 4.585,571 4.454,572 4.782,573 0.712,574 261.29,575 3.135,576 4.673,577 5.525,578 6.409,579 7.284,580 8.172,581 9.056,582 9.946,583 10.834,584 11.725,585 3.2,591 1,592 2,593 8,594 1,596 5,598 17,602 2,605 31,606 18,607 2,608 22,610 33,611 17,612 15,613 5,614 7,616 3,617 4,627 2,628 15,637 1,639 11,640 3,641 2,642 3,645 1,647 0.667,648 2,650 1,654 3,657 1,658 1,659 1,667 2,673 20,674 2,682 1,683 1,686 1,688 6.5,690 2,693 10.333,694 5.6,695 4.417,696 1.7,697 3.511,698 1.519,699 0.966,700 2.962,701 10.273,702 3.512,703 4.159,704 4.826,705 5.479,706 6.153,707 6.514,708 6.977,709 7.426,710 7.844,711 8.047,712 0.833,713 32,714 7.309,715 3.135,716 7.958,717 13.605,718 11.11,719 2.458,720 49.167,723 105.94,724 130.007,725 16.786,727 85.367,730 130.007,731 191.307,732 16.786,735 75.81,736 102.152,737 13.845,738 52.123,739 94.169,741 105.94,742 146.792,743 85.367,746 105.94,747 85.367,749 4.901,750 108.075,751 33.816,753 105.94,754 102.152,755 130.007,756 105.94,757 13.845,758 75.81,759 17.031,760 125.473,761 105.94,762 102.152,763 130.007,764 0.582,765 0.342,766 0.185,767 0.115,768 16,769 7,770 0.03,771 1,772 1,773 1.125,774 3.188,775 153.992,776 0.125,777 16,778 82.439,780 12.375,781 4.786,782 2.295,783 1.469,784 102.152,785 13.494,786 4.537,788 2.643,790 85.367,791 338.099,792 32.5,797 31.174,798 33.993,799 0.287,800 0.648,801 0.761,802 0.904,803 0.935,804 0.948,805 4.738,806 1,807 5.517,808 2.686,809 4.143,810 4.844,812 6.33,813 4.098,814 5.987,815 0.437,816 7.077,817 2.275,818 3.761,819 4.691,821 7.222,822 3.674,823 7.311,825 8.733,826 0.768,827 5.74,828 7.15,830 10.309,831 5.659,832 8.668,833 -0.296,834 10.444,836 6.133,837 7.81,839 12.01,840 6.02,841 10.052,842 -0.57,843 12.19,844 -0.636,845 7.604,846 9.732,848 14.625,849 7.494,850 11.457,851 -0.83,852 13.962,853 -1.562,854 8.369,855 10.802,857 16.681,858 8.236,859 12.88,860 -1,861 15.752,862 -2.298,863 9.631,864 12.487,866 19.122,867 9.493,868 3.132,869 -1.1,870 17.557,871 -2.92,872 10.581,873 13.774,875 21.337,876 10.426,877 2.745,878 10.5,879 19.374,880 -3,881 11.756,882 15.353,884 23.713,885 11.592,886 2.319,887 8.841,888 21.201,889 4.533,890 12.798,891 16.751,893 25.998,894 12.618,895 2.194,896 6.336,897 23.036,898 3.768,899 13.939,900 18.284,902 28.35,903 13.748,904 1.99,905 6.111,906 24.877,907 3.203,908 15.027,909 19.738,911 30.666,912 14.819,913 1.416,914 5.756,915 26.724,916 3.011,917 16.157,918 21.253,920 33.011,921 15.936,922 1.076,923 4.111,924 28.575,925 2.794,926 17.267,927 22.734,929 35.342,930 17.03,931 3489,932 6235,933 14.622,934 22.722,935 34.21,936 33.011,937 34.191,938 32.728,939 32.619,940 46.671,942 94.771,943 31.819,944 5.225,945 5.259,946 6.099,947 5.159,948 5.132,949 7.533,951 17.438,952 5.083,953 9.507,954 1.555,955 1.5,956 1.554,957 1.488,958 1.483,959 2.121,961 4.308,962 1.446,963 4.099,964 4.119,965 4.07,966 4.039,967 6.474,968 4.044,969 3.862,970 3.882,971 3.806,972 3.801,973 6.468,974 3.799,975 3.488,976 3.511,977 3.428,978 3.415,979 5.449,980 3.413,981 3.208,982 3.24,983 3.159,984 3.094,985 4.909,986 3.105,987 2.92,988 2.951,989 2.837,990 2.765,991 4.571,992 2.763,993 2.854,994 2.925,995 2.733,996 2.735,997 4.133,998 2.727,999 2.849,1000 2.888,1001 2.687,1002 2.716,1003 3.821,1004 2.715,1005 2.608,1006 2.655,1007 2.472,1008 2.425,1009 3.674,1010 2.425,1011 0.209,1012 0.148,1013 0.299,1014 0.187,1015 0.142,1016 4.593,1017 0.206,1018 3.259,1020 6.577,1021 0.477,1022 4.116,1023 0.14,1024 3.132,1025 4.533,1027 10.5,1028 3.083,1029 2.059,1030 2.042,1031 2.116,1032 2.133,1033 1.236,1034 2.129,1035 1.855,1036 1.836,1037 1.958,1038 1.94,1039 1.047,1040 1.946,1041 1.477,1042 1.455,1043 1.597,1044 1.583,1045 0.614,1046 1.586,1047 1.167,1048 1.137,1049 1.295,1050 1.313,1051 0.237,1052 1.307,1053 0.886,1054 0.838,1055 1.181,1056 1.099,1057 0.218,1058 1.107,1059 0.886,1060 0.821,1061 1.132,1062 1.062,1063 0.052,1064 1.094,1065 0.805,1066 0.783,1067 0.986,1068 1.026,1070 1.024,1071 0.566,1072 0.517,1073 0.851,1074 0.84,1076 0.841,1077 3.807,1078 5.13,1080 6.663,1082 8.292,1084 9.972,1089 18.869,1097 5.538,1099 2.618,1100 22.085,1101 44.039,1102 99.58,1103 116.825,1104 138.825,1105 143.58,1106 145.58,1107 29.455,1108 6.762,1109 53.35,1110 53.35,1111 18,1112 12.254,1113 4.248,1114 3.524,1115 29.854,1116 58,1117 60,1118 0.267,1119 137.173,1120 235.06,1121 326.462,1122 6576,1124 14.113,1125 0.706,1126 0.527,1127 14.113,1128 10.538,1129 9.669,1130 0.44,1131 0.276,1132 6.024,1133 9.465,1134 5.886,1135 4.887,1136 9.669,1137 6.07,1138 8.762,1139 0.283,1140 0.143,1141 8.762,1142 4.448,1143 7.378,1144 0.18,1145 0.076,1146 7.378,1147 3.111,1148 6.018,1149 0.111,1150 0.039,1151 6.018,1152 2.113,1153 5.409,1154 0.073,1155 0.02,1156 5.409,1157 1.507,1158 0.403,1159 59.577,1160 0.262,1161 19.564,1162 0.78,1163 106,1164 303.944,1165 112.261,1166 306.611,1167 419.75,1168 284,1169 125,1170 311.878,1171 130.654,1172 321.59,1173 465.7,1174 303,1175 5.824}